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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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 3Sbf04SPtHy
Name Codeinone
Source of Sample Cayman Chemical Company
Catalog Number 29917
Lot Number 0582203-3
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 467-13-0
Copyright Copyright © 2019-2024 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
Instrument Name Bio-Rad FTS
Purity >=98%
SMILES C1(=O)C=C[C@@]2([H])[C@]3(Cc4ccc(OC)c5c4[C@]2([C@@]1([H])O5)CCN3C)[H]
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms 6-Oxocodeine
Technique ATR-Neat
UV - Neutral Conditions UVmax (nm): 231