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Oxybutynin
SpectraBase Compound ID Ka4vwmemehy
InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
InChIKey XIQVNETUBQGFHX-UHFFFAOYSA-N
Mol Weight 357.49 g/mol
Molecular Formula C22H31NO3
Exact Mass 357.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZpHyo0vG48
Name Oxybutynine
CAS Registry Number 5633-20-5
Classification Antispasmotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 357.230393859 u
Formula C22H31NO3
InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
InChIKey XIQVNETUBQGFHX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 357.494 g/mol
SMILES c1cccc(C(O)(C(OCC#CCN(CC)CC)=O)C2CCCCC2)c1
SPLASH splash10-0a4i-9401000000-032ddbe1ed3a423ec3b4
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.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3724