COMPOUND: C14077
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Entry
C14077 Compound
Name
Phthalocyanine;
29H,31H-Phthalocyanine;
Pigment blue 16
Formula
C32H18N8
Exact mass
514.1654
Mol weight
514.5389
Structure
Mol file
KCF file
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Other DBs
CAS:
574-93-6
PubChem:
854314
ChEBI:
195320
34921
NIKKAJI:
J34.511C
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KCF data
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ATOM 40
1 C8x C 19.5996 -18.3175
2 C8x C 19.5996 -16.9175
3 C8x C 20.7662 -16.2176
4 C8x C 21.9795 -16.9175
5 C8y C 21.9795 -18.3175
6 C8y C 20.7662 -19.0175
7 C8y C 23.0062 -19.2508
8 N4x N 22.4461 -20.3708
9 C8y C 21.0462 -20.3708
10 N5x N 24.2195 -18.5508
11 C8y C 26.5994 -18.3641
12 C8x C 26.5994 -16.9642
13 C8x C 27.8126 -16.2643
14 C8x C 29.0259 -16.9642
15 C8x C 29.0259 -18.3641
16 C8y C 27.8126 -19.0642
17 C8y C 27.5326 -20.4174
18 N5x N 26.1327 -20.4174
19 C8y C 25.5728 -19.2975
20 N5x N 20.1092 -21.4110
21 N5x N 28.4696 -21.4576
22 C8x C 19.5068 -24.5702
23 C8x C 19.5068 -25.9702
24 C8x C 20.6735 -26.6702
25 C8x C 21.8868 -25.9702
26 C8y C 21.8868 -24.5702
27 C8y C 20.6735 -23.8702
28 C8y C 22.9136 -23.6368
29 N5x N 22.3535 -22.5168
30 C8y C 20.9535 -22.5168
31 N5x N 24.1269 -24.3368
32 C8y C 26.5069 -24.5236
33 C8x C 26.5069 -25.9235
34 C8x C 27.7202 -26.6235
35 C8x C 28.9336 -25.9235
36 C8x C 28.9336 -24.5236
37 C8y C 27.7202 -23.8235
38 C8y C 27.4402 -22.4702
39 N4x N 26.0402 -22.4702
40 C8y C 25.4802 -23.5901
BOND 48
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 6 9 1
11 7 10 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 11 16 2
18 16 17 1
19 17 18 1
20 18 19 2
21 11 19 1
22 10 19 1
23 9 20 2
24 17 21 2
25 22 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 22 27 1
31 26 28 1
32 28 29 1
33 29 30 2
34 27 30 1
35 28 31 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 36 37 1
41 32 37 1
42 37 38 2
43 38 39 1
44 39 40 1
45 32 40 2
46 31 40 1
47 20 30 1
48 21 38 1
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