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Pentoxyverine-M (OH) I
SpectraBase Compound ID CliAv0sBY8B
InChI InChI=1S/C20H31NO4/c1-3-21(4-2)12-13-24-14-15-25-19(23)20(11-10-18(22)16-20)17-8-6-5-7-9-17/h5-9,18,22H,3-4,10-16H2,1-2H3
InChIKey UKHJMGLGMFKISH-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HRCQTcNQbQ
Name Pentoxyverine-M (OH) I
Classification Pharmaceutical drug metabolite
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 349.225308478 u
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-3-21(4-2)12-13-24-14-15-25-19(23)20(11-10-18(22)16-20)17-8-6-5-7-9-17/h5-9,18,22H,3-4,10-16H2,1-2H3
InChIKey UKHJMGLGMFKISH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 349.471 g/mol
Nominal Mass 349 u
Quality 992
Retention Index 2419
SMILES OC1CC(C=2C=CC=CC2)(C(OCCOCCN(CC)CC)=O)CC1
SPLASH splash10-000i-9300000000-7111ef92288c0058037c
Sample Comments Hydroxyl position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Carbetapentane-M (OH) I 2-(2-(diethylamino)ethoxy)ethyl 3-hydroxy-1-phenylcyclopentane-1-carboxylate
Technique GC/MS
Wiley ID DD2024_013494