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1-(Phenylthio)-1-cyclobutanecarboxylic acid
SpectraBase Compound ID 8cbuvi5Xxh3
InChI InChI=1S/C11H12O2S/c12-10(13)11(7-4-8-11)14-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
InChIKey NSGZWMXMFPZUFN-UHFFFAOYSA-N
Mol Weight 208.27 g/mol
Molecular Formula C11H12O2S
Exact Mass 208.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxeqcFKp9v3
Name 1-(Phenylthio)-1-cyclobutanecarboxylic acid
Alternate Name(s) 1-Phenylsulfanylcyclobutanecarboxylic acid 1-Phenylsulfanylcyclobutane-1-carboxylic acid
CAS Registry Number 63049-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2S
InChI InChI=1S/C11H12O2S/c12-10(13)11(7-4-8-11)14-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
InChIKey NSGZWMXMFPZUFN-UHFFFAOYSA-N
Molecular Weight 208.275 g/mol
SMILES OC(C1(Sc2ccccc2)CCC1)=O
SPLASH splash10-000i-1910000000-bee15e8ee83d4ffd6c0a
Source of Spectrum C-99-3108-0
Wiley ID 1206473