COMPOUND: C15463
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Entry
C15463 Compound
Name
(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol
Formula
C18H21FO
Exact mass
272.1576
Mol weight
272.3571
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396460
ChEBI:
79960
NIKKAJI:
J2.794.503A
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KCF data
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ATOM 20
1 C8x C 31.2617 -23.7144
2 C8y C 32.4591 -22.9947
3 C8x C 32.5027 -21.5956
4 C8x C 31.2131 -20.9219
5 C8y C 30.0158 -21.6416
6 C8x C 30.0386 -23.0349
7 C1c C 28.8745 -20.9685
8 C1c C 28.8281 -19.5745
9 C8y C 27.6138 -18.8967
10 C8x C 27.5938 -17.5061
11 C8x C 26.3796 -16.8283
12 C8y C 25.1855 -17.5408
13 C8x C 25.2055 -18.9312
14 C8x C 26.4197 -19.6092
15 C1b C 30.0270 -18.8574
16 C1b C 27.6061 -21.6867
17 O1a O 23.9656 -16.8598
18 X F 33.6815 -23.6713
19 C1a C 31.2474 -19.5373
20 C1a C 26.3850 -21.0081
BOND 21
1 4 5 1
2 5 6 2
3 6 1 1
4 9 10 2
5 10 11 1
6 11 12 2
7 12 13 1
8 13 14 2
9 14 9 1
10 5 7 1
11 8 15 1 #Up
12 1 2 2
13 7 16 1 #Down
14 7 8 1
15 12 17 1
16 2 3 1
17 2 18 1
18 8 9 1
19 15 19 1
20 3 4 2
21 16 20 1
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