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Papaverine
SpectraBase Compound ID ImvFf83jjtM
InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
InChIKey XQYZDYMELSJDRZ-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApdVbAzebOY
Name Papaverine
CAS Registry Number 58-74-2
Classification Pharmaceutical drug, antispasmodic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 339.147058156 u
Formula C20H21NO4
InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
InChIKey XQYZDYMELSJDRZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 339.391 g/mol
Nominal Mass 339 u
Quality 1000
Retention Index 2825
SMILES C1=2C(=CC(=C(C2)OC)OC)C=CN=C1CC1=CC(=C(C=C1)OC)OC
SPLASH splash10-0079-1439000000-348af6fd9acfdf3e8e1a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline
Technique GC/MS
Wiley ID DD2024_003475