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Codeine
SpectraBase Compound ID BiYblkHYfL7
InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
InChIKey OROGSEYTTFOCAN-DNJOTXNNSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cjx7l0OvyDw
Name Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-
Alternate Name(s) (+)-Codeine (-)-Codeine (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol 6-Isocodeine 7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol 7,8-Didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl morphinan-6.alpha.-ol Codein Codicept Coducept Isocodeine l-Codeine Methylmorphine Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-alpha)- Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.beta.)- Morphinan-6.alpha.-ol, 7,8-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl- Morphinan-6.beta.-ol, 7,8-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl- Morphine monomethyl ether Morphine, 3-methyl ether Morphine-3-methyl ester Norcodeine, N-methyl- Norcodine, N-methyl O3-Methylmorphine CCRIS 7555 EINECS 200-969-1 HSDB 3043
CAS Registry Number 76-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
InChIKey OROGSEYTTFOCAN-DNJOTXNNSA-N
Molecular Weight 299.370 g/mol
SMILES O[C@]1(C=C[C@@]2([C@@]34c5c(c(OC)ccc5C[C@]2(N(CC4)C)[H])O[C@@]13[H])[H])[H]
SPLASH splash10-0005-8970000000-960fbf36eeb597d7479f
Source of Spectrum CD-131-0-0
Wiley ID 1302115