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Pentoxyverine-M (Desalkyl,OH) 2AC II
SpectraBase Compound ID EVVKNx9eQUu
InChI InChI=1S/C22H31NO6/c1-4-23(17(2)24)13-14-27-15-16-28-21(26)22(19-9-6-5-7-10-19)12-8-11-20(22)29-18(3)25/h5-7,9-10,20H,4,8,11-16H2,1-3H3
InChIKey KXINLELETOGZNF-UHFFFAOYSA-N
Mol Weight 405.49 g/mol
Molecular Formula C22H31NO6
Exact Mass 405.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8I3IHGcFsvo
Name Pentoxyverine-M (Desalkyl,OH) 2AC II
Classification Pharmaceutical drug metabolite derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 405.215137716 u
Formula C22H31NO6
InChI InChI=1S/C22H31NO6/c1-4-23(17(2)24)13-14-27-15-16-28-21(26)22(19-9-6-5-7-10-19)12-8-11-20(22)29-18(3)25/h5-7,9-10,20H,4,8,11-16H2,1-3H3
InChIKey KXINLELETOGZNF-UHFFFAOYSA-N
Ionization Type Chemical Ionization (CI)
Molecular Weight 405.491 g/mol
Nominal Mass 405 u
Reagent Gas Methane
Retention Index 2850
SMILES C1(C(CCC1)OC(=O)C)(C=1C=CC=CC1)C(OCCOCCN(C(=O)C)CC)=O
SPLASH splash10-0bt9-0801900000-ac87eef984dba53d45c7
Sample Comments Acetoxy position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Carbetapentane-M (Desalkyl,OH) 2AC II 2-(2-(acetyl(ethyl)amino)ethoxy)ethyl 2-(acetyloxy)-1-phenylcyclopentane-1-carboxylate
Technique GC/MS
Wiley ID DD2024_013527