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Pentoxyverine-M (- C2H5,OH)
SpectraBase Compound ID 2AF5HtzY68v
InChI InChI=1S/C18H27NO4/c1-2-19-10-11-22-12-13-23-17(21)18(9-8-16(20)14-18)15-6-4-3-5-7-15/h3-7,16,19-20H,2,8-14H2,1H3
InChIKey QIXXHMNMQQLUPQ-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lLpfO1Zugy
Name Pentoxyverine-M (- C2H5,OH)
Classification Pharmaceutical drug metabolite
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 321.194008349 u
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-2-19-10-11-22-12-13-23-17(21)18(9-8-16(20)14-18)15-6-4-3-5-7-15/h3-7,16,19-20H,2,8-14H2,1H3
InChIKey QIXXHMNMQQLUPQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 321.417 g/mol
Nominal Mass 321 u
Quality 852
Retention Index 2379
SMILES OC1CC(C=2C=CC=CC2)(C(OCCOCCNCC)=O)CC1
SPLASH splash10-0a4i-9510000000-ba99e2f3def51990feb4
Sample Comments Hydroxyl position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Carbetapentane-M (- C2H5,OH) 2-(2-(ethylamino)ethoxy)ethyl 3-hydroxy-1-phenylcyclopentane-1-carboxylate
Technique GC/MS
Wiley ID DD2024_013493