COMPOUND: C15145
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Entry
C15145 Compound
Name
4,4-Bis[4-(acetyloxy)phenyl]3-hexanone;
4,4-Bis(4-hydroxyphenyl)-3-hexanone diacetate
Formula
C22H24O5
Exact mass
368.1624
Mol weight
368.423
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396142
ChEBI:
79663
NIKKAJI:
J2.793.128F
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KCF data
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ATOM 27
1 C8x C 22.8729 -19.7060
2 C8y C 22.8650 -21.1080
3 C8x C 24.0781 -21.8160
4 C8x C 25.2921 -21.1219
5 C8y C 25.3000 -19.7199
6 C8x C 24.0942 -19.0120
7 O7a O 21.6471 -21.8027
8 C1d C 26.5187 -19.0269
9 C8y C 27.7284 -19.7357
10 C1b C 27.7246 -18.3136
11 C8x C 27.7854 -21.1311
12 C8x C 28.9248 -21.8400
13 C8y C 30.1437 -21.1469
14 C8x C 30.1527 -19.7449
15 C8x C 28.9430 -19.0361
16 O7a O 31.3531 -21.8558
17 C1a C 27.7544 -16.8917
18 C5a C 25.3063 -18.3269
19 C1b C 25.3063 -16.9269
20 C1a C 24.3163 -15.9369
21 O5a O 23.9540 -18.3145
22 C7a C 20.4112 -21.0811
23 C1a C 19.2219 -21.7601
24 O6a O 20.4179 -19.6702
25 C7a C 32.5821 -21.1571
26 C1a C 33.7585 -21.8468
27 O6a O 32.5220 -19.7406
BOND 28
1 2 3 1
2 8 9 1
3 3 4 2
4 4 5 1
5 8 10 1
6 5 6 2
7 6 1 1
8 2 7 1
9 1 2 2
10 9 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 15 9 1
16 5 8 1
17 13 16 1
18 10 17 1
19 8 18 1
20 18 19 1
21 19 20 1
22 18 21 2
23 7 22 1
24 22 23 1
25 22 24 2
26 16 25 1
27 25 26 1
28 25 27 2
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