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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 JGKH4QjaHuy
Name Oxybutynin
CAS Registry Number 5633-20-5
Classification Parasympatholytic, spasmolytic
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and 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
Nominal Mass 357 u
Quality 931
Retention Index 2646
SMILES OC(C1=CC=CC=C1)(C1CCCCC1)C(OCC#CCN(CC)CC)=O
SPLASH splash10-0006-5609000000-feeb743c9f5a4aaae4f1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Oxytrol 4-Diethylaminobut-2-ynyl-2-cyclohexyl-2-hydroxy-2-phenyl acetate
Technique GC/MS
Wiley ID DD2024_029923