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6a-Naltrexol
SpectraBase Compound ID FD4encGs389
InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1
InChIKey JLVNEHKORQFVQJ-SBCNTATESA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 3WDxE2dYfVq
Name 6α-Naltrexol
Source of Sample Cayman Chemical Company
Catalog Number 21975
Lot Number 0528283-3
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 20410-98-4
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Formula C20H25NO4
IUPAC Name 17-(Cyclopropylmethyl)-4,5α-epoxymorphinan-3,6α,14-triol
InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1
InChIKey JLVNEHKORQFVQJ-SBCNTATESA-N
Instrument Name Bio-Rad FTS
Purity >=98%
SMILES O[C@]12CC[C@@]([C@@]3(Oc4c(ccc5c4[C@]23CCN([C@@]1(C5)[H])CC1CC1)O)[H])(O)[H]
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms 6α-Hydroxy naltrexone
Technique ATR-Neat