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Papaverine-M (O-Desmethyl) AC
SpectraBase Compound ID ETHy9VcERc0
InChI InChI=1S/C21H21NO5/c1-13(23)27-21-10-14(5-6-18(21)24-2)9-17-16-12-20(26-4)19(25-3)11-15(16)7-8-22-17/h5-8,10-12H,9H2,1-4H3
InChIKey JOMXVMKTUKABRZ-UHFFFAOYSA-N
Mol Weight 367.4 g/mol
Molecular Formula C21H21NO5
Exact Mass 367.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4YT3rLm2Ii
Name Papaverine-M (O-Desmethyl) AC
Classification Pharmaceutical drug metabolite
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 367.141972775 u
Formula C21H21NO5
InChI InChI=1S/C21H21NO5/c1-13(23)27-21-10-14(5-6-18(21)24-2)9-17-16-12-20(26-4)19(25-3)11-15(16)7-8-22-17/h5-8,10-12H,9H2,1-4H3
InChIKey JOMXVMKTUKABRZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 367.401 g/mol
Nominal Mass 367 u
Quality 919
Retention Index 2801
SMILES C1=2C(=CC(=C(C2)OC)OC)C=CN=C1CC1=CC(=C(C=C1)OC)OC(=O)C
SPLASH splash10-02mi-1459000000-cdee9841b8357ff90282
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-((6,7-dimethoxyisoquinolin-1-yl)methyl)-2-methoxyphenyl acetate
Technique GC/MS
Wiley ID DD2024_003478