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(3R,6R)-3-acetoxy-6-dimethylamino-4,4-diphenylheptane
SpectraBase Compound ID BcKOIqxTvEJ
InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m1/s1
InChIKey XBMIVRRWGCYBTQ-XMSQKQJNSA-N
Mol Weight 353.51 g/mol
Molecular Formula C23H31NO2
Exact Mass 353.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCGQNRFErIW
Name (3R,6R)-3-acetoxy-6-dimethylamino-4,4-diphenylheptane
Alternate Name(s) (3R,6R)-6-dimethylamino-4,4-diphenyl-3-heptyl acetat 3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-, acetate (ester), (3R,6R)-(+)- Alfacetilmetadol Alfacetilmetadolo Alfacetimethadone Alphacemethadone Alphacetylmethadol Alphacetylmethadolum Acetic acid [(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] ester [(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate [(1R,4R)-4-(dimethylamino)-1-ethyl-2,2-diphenyl-pentyl] acetate [(3R,6R)-6-(dimethylamino)-4,4-diphenyl-heptan-3-yl] ethanoate DEA NO. 9603
CAS Registry Number 17199-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO2
InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m1/s1
InChIKey XBMIVRRWGCYBTQ-XMSQKQJNSA-N
Molecular Weight 353.506 g/mol
SMILES C([C@](OC(=O)C)(CC)[H])(C[C@](N(C)C)(C)[H])(c1ccccc1)c1ccccc1
SPLASH splash10-00di-9000000000-053462a67a7bb19020f2
Source of Spectrum W5-31094-0-0
Wiley ID 1344109