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Codeinone
SpectraBase Compound ID J8IH2nGKaC8
InChI InChI=1S/C18H19NO3/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/h3-6,11-12,17H,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
InChIKey XYYVYLMBEZUESM-CMKMFDCUSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LDTE7DJWrjJ
Name Codeinone
Source of Sample Cayman Chemical Company
Catalog Number 29917
CAS Registry Number 467-13-0
Cell Type Capillary tube
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO3
IUPAC Name 7,8-Didehydro-4,5α-epoxy-3-methoxy-17-methylmorphinan-6-one
InChI InChI=1S/C18H19NO3/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/h3-6,11-12,17H,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
InChIKey XYYVYLMBEZUESM-CMKMFDCUSA-N
Molecular Weight 297.354 g/mol
Purity >=98%
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Source Nd:YAG
SMILES [C@]12(C(C=C[C@@]3([C@@]22c4c(O1)c(ccc4C[C@]3(N(CC2)C)[H])OC)[H])=O)[H]
Scans Performed 1728
Source of Spectrum Forensic Spectral Research
Synonyms 6-Oxocodeine
Technique FT-Raman
UV - Neutral Conditions UVmax (nm): 231