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2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid methyl ester
SpectraBase Compound ID G10cY3xO2c4
InChI InChI=1S/C15H20O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13,17H,3,6-7,10-11H2,1H3
InChIKey SPTZOODMHSABLY-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KEax9pXBXE
Name Oxybutynin-M/A (CO2H) ME
Classification Pharmaceutical drug metabolite, artifact derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 248.141244501 u
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13,17H,3,6-7,10-11H2,1H3
InChIKey SPTZOODMHSABLY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 248.322 g/mol
Nominal Mass 248 u
Quality 813
Retention Index 1829
SMILES OC(C1=CC=CC=C1)(C1CCCCC1)C(OC)=O
SPLASH splash10-000i-1900000000-d75e765aa1106df58374
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl cyclohexyl(hydroxy)phenylacetate
Technique GC/MS
Wiley ID DD2024_009271