COMPOUND: C22779
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Entry
C22779 Compound
Name
Synhexyl;
Parahexyl;
3-Hexyl-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-ol
Formula
C22H32O2
Exact mass
328.2402
Mol weight
328.4883
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Cabinet Order Article 1 (157 substances)
C22779
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Other DBs
CAS:
117-51-1
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KCF data
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ATOM 24
1 C2y C 15.2621 -16.1798
2 C8y C 16.3924 -16.8863
3 C2y C 14.0610 -16.8863
4 C1x C 15.2621 -14.8375
5 C8y C 16.3924 -18.2287
6 C8y C 17.5935 -16.1798
7 C1z C 14.0610 -18.2287
8 C1x C 12.8600 -16.1798
9 C1y C 14.0610 -14.1310
10 O2x O 15.2621 -18.9351
11 C8x C 17.5935 -18.9351
12 C8x C 18.7945 -16.8863
13 O1a O 17.5935 -14.8375
14 C1a C 14.0610 -19.9242
15 C1a C 12.5068 -18.9351
16 C1x C 12.8600 -14.8375
17 C8y C 18.7945 -18.2287
18 C1b C 19.9955 -18.9351
19 C1b C 21.1966 -18.2287
20 C1b C 22.3269 -18.9351
21 C1b C 23.5280 -18.2287
22 C1b C 24.7290 -18.9351
23 C1a C 14.0610 -12.7181
24 C1a C 25.9471 -18.2450
BOND 26
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 5 10 1
10 5 11 1
11 6 12 2
12 6 13 1
13 7 14 1
14 7 15 1
15 8 16 1
16 11 17 2
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 7 10 1
23 9 16 1
24 12 17 1
25 9 23 1
26 22 24 1
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