COMPOUND: C15191
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Entry
C15191 Compound
Name
(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone;
2-Isopropyl-3-(4-hydroxybenzoyl)benzofuran
Formula
C18H16O3
Exact mass
280.1099
Mol weight
280.3178
Structure
Mol file
KCF file
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CAS:
10454-62-3
PubChem:
17396188
ChEBI:
79708
NIKKAJI:
J2.790.337A
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KCF data
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ATOM 21
1 C8y C 26.0484 -18.2004
2 C8y C 23.7247 -18.2004
3 C8y C 26.0426 -19.5890
4 C5a C 27.1523 -17.4859
5 C8y C 23.7130 -19.5832
6 C8x C 22.4580 -17.4973
7 O2x O 24.8516 -20.2921
8 C1c C 26.9011 -20.6362
9 C8y C 28.3028 -18.1308
10 O5a O 27.1700 -16.3180
11 C8x C 22.4406 -20.2688
12 C8x C 21.1853 -18.1829
13 C8x C 28.3146 -19.4439
14 C8x C 29.4296 -17.4625
15 C8x C 21.2436 -19.5657
16 C8x C 29.4646 -20.0887
17 C8x C 30.5800 -18.1017
18 C8y C 30.6033 -19.4148
19 O1a O 31.8001 -20.0887
20 C1a C 28.4634 -20.6485
21 C1a C 26.9011 -22.0362
BOND 23
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 2
12 9 13 2
13 9 14 1
14 11 15 2
15 13 16 1
16 14 17 2
17 16 18 2
18 18 19 1
19 5 7 1
20 12 15 1
21 17 18 1
22 8 20 1
23 8 21 1
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