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4-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)-N,N-diethyl-2-butyn-1-amine oxide
SpectraBase Compound ID KYDVZkBXTI2
InChI InChI=1S/C22H31NO4/c1-3-23(26,4-2)17-11-12-18-27-21(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 LBINNMJXZZEDOO-UHFFFAOYSA-N
Mol Weight 373.49 g/mol
Molecular Formula C22H31NO4
Exact Mass 373.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pqQps2fq7K
Name 4-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)-N,N-diethyl-2-butyn-1-amine oxide
Alternate Name(s) 4-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxy-N,N-diethyl-but-2-yn-1-amine oxide 4-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxy-N,N-diethyl-but-2-yn-1-amine oxide Oxybutynin N-oxide
CAS Registry Number 80976-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO4
InChI InChI=1S/C22H31NO4/c1-3-23(26,4-2)17-11-12-18-27-21(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 LBINNMJXZZEDOO-UHFFFAOYSA-N
Molecular Weight 373.493 g/mol
SMILES OC(C(=O)OCC#CC[N+]([O-])(CC)CC)(c1ccccc1)C1CCCCC1
SPLASH splash10-056r-2900000000-86e4b91092eb1e979d5e
Source of Spectrum KO-8-512-6
Wiley ID 1356171