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Mebeverine
SpectraBase Compound ID G4IN5wCa0p7
InChI InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3
InChIKey VYVKHNNGDFVQGA-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C25H35NO5
Exact Mass 429.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHwlqg7arJ2
Name Mebeverine
CAS Registry Number 3625-06-7
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 429.251523226 u
Formula C25H35NO5
InChI InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3
InChIKey VYVKHNNGDFVQGA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 429.557 g/mol
Nominal Mass 429 u
Quality 960
Retention Index 3191
SMILES C1(=CC(=C(C=C1)OC)OC)C(OCCCCN(C(CC1=CC=C(C=C1)OC)C)CC)=O
SPLASH splash10-0a4i-7916000000-06f4f3547da0a5d09752
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-(Ethyl[1-(4-methoxyphenyl)propan-2-yl]amino)butyl 3,4-dimethoxybenzoate 4-[Ethyl(4-methoxy-alpha-methylphenethyl)amino]butylveratrate
Technique GC/MS
Wiley ID DD2024_018215