COMPOUND: C14227
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Entry
C14227 Compound
Name
Di-n-octyl phthalate;
Bis(n-octyl) phthalate;
Dioctyl 1,2-benzenedicarboxylate
Formula
C24H38O4
Exact mass
390.277
Mol weight
390.5561
Structure
Mol file
KCF file
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Other DBs
CAS:
117-84-0
PubChem:
7847037
ChEBI:
34679
NIKKAJI:
J2.474K
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KCF data
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ATOM 28
1 C8x C 21.6295 -16.1871
2 C8x C 21.6306 -17.5853
3 C8x C 22.8396 -15.4871
4 C8x C 22.8419 -18.2835
5 C8y C 24.0510 -16.1851
6 C8y C 24.0522 -17.5833
7 C7a C 25.2613 -15.4852
8 C7a C 25.2636 -18.2813
9 O7a O 26.4726 -16.1833
10 O7a O 26.4737 -17.5814
11 C1b C 27.6722 -15.4890
12 C1b C 28.8943 -16.1933
13 C1b C 27.6536 -18.2610
14 C1b C 28.8507 -17.5683
15 O6a O 25.2602 -14.0623
16 O6a O 25.2645 -19.8645
17 C1b C 30.1291 -15.4789
18 C1b C 30.0557 -18.2619
19 C1b C 31.3462 -16.1801
20 C1b C 31.2758 -17.5556
21 C1b C 32.5317 -15.4942
22 C1b C 32.4628 -18.2390
23 C1b C 33.7355 -16.1879
24 C1b C 33.6629 -17.5440
25 C1b C 34.8598 -18.2332
26 C1b C 34.9277 -15.4982
27 C1a C 36.1279 -16.1899
28 C1a C 36.0549 -17.5411
BOND 28
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 2
5 4 6 2
6 5 6 1
7 5 7 1
8 6 8 1
9 7 9 1
10 8 10 1
11 9 11 1
12 11 12 1
13 10 13 1
14 13 14 1
15 7 15 2
16 8 16 2
17 12 17 1
18 14 18 1
19 17 19 1
20 18 20 1
21 19 21 1
22 20 22 1
23 21 23 1
24 22 24 1
25 24 25 1
26 23 26 1
27 26 27 1
28 25 28 1
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