COMPOUND: C15056
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Entry
C15056 Compound
Name
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate
Formula
C20H19FO3
Exact mass
326.1318
Mol weight
326.3615
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396053
ChEBI:
79576
NIKKAJI:
J2.791.788G
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KCF data
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ATOM 24
1 C8y C 21.0416 -14.5426
2 C8y C 21.0416 -15.9406
3 C2y C 22.2522 -16.6397
4 C2y C 23.4632 -15.9406
5 C1z C 23.4632 -14.5426
6 O2x O 22.2522 -13.8435
7 C8x C 19.8309 -13.8435
8 C8y C 18.6199 -14.5426
9 C8x C 18.6199 -15.9406
10 C8x C 19.8309 -16.6397
11 O7a O 17.4172 -13.8484
12 C8y C 24.6764 -16.6411
13 C1a C 22.2521 -18.0619
14 C8x C 24.6769 -18.0615
15 C8x C 25.8896 -18.7612
16 C8y C 27.1020 -18.0606
17 C8x C 27.1015 -16.6403
18 C8x C 25.8886 -15.9406
19 X F 28.3081 -18.7565
20 C1a C 24.2456 -13.4003
21 C1a C 24.6757 -15.2427
22 C7a C 16.2101 -14.5455
23 C1a C 15.0282 -13.8634
24 O6a O 16.2099 -15.9615
BOND 26
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 8 11 1
13 4 12 1
14 3 13 1
15 12 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 12 18 1
21 16 19 1
22 5 20 1
23 5 21 1
24 11 22 1
25 22 23 1
26 22 24 2
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