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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 FgLCgPe6Iad
Name Papaverine-M isomer-4 AC
Classification Antispasmotic
Comments Structure comment: Wiggly bond = unknown position of substituent
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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
SMILES c1(c(OC)cc2c(Cc3cc(c(cc3)OC)OC(C)=O)nccc2c1)OC
SPLASH splash10-02mi-0239000000-6104a6825ee73f0d2435
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Papaverine-M (O-demethyl-) isomer-4 AC
Technique GC/MS
Wiley ID MMPW6e_3688