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Pravadoline
SpectraBase Compound ID CRbhQuMzDQU
InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
InChIKey MEUQWHZOUDZXHH-UHFFFAOYSA-N
Mol Weight 378.47 g/mol
Molecular Formula C23H26N2O3
Exact Mass 378.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIF2jVjwNPs
Name Pravadoline
CAS Registry Number 92623-83-1
Classification Pharmaceutical drug, antiinflammatory, analgesic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 378.194342702 u
Formula C23H26N2O3
InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
InChIKey MEUQWHZOUDZXHH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 378.472 g/mol
Nominal Mass 378 u
Quality 993
Retention Index 3344
SMILES C=1(C=2C(N(C1C)CCN1CCOCC1)=CC=CC2)C(C1=CC=C(C=C1)OC)=O
SPLASH splash10-0udi-1901000000-3dbb3bf315f3b14aded2
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms WIN 48,098 (4-Methoxyphenyl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
Technique GC/MS
Wiley ID DD2024_013633