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2-Allyl-2-(phenylthio)cyclobutanone
SpectraBase Compound ID 1zkuWTRvIaz
InChI InChI=1S/C13H14OS/c1-2-9-13(10-8-12(13)14)15-11-6-4-3-5-7-11/h2-7H,1,8-10H2
InChIKey DXQHBYBZVFMPNR-UHFFFAOYSA-N
Mol Weight 218.31 g/mol
Molecular Formula C13H14OS
Exact Mass 218.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R4ryV0IX49
Name 2-Allyl-2-(phenylthio)cyclobutanone
Alternate Name(s) 2-allyl-2-(phenylsulfanyl)cyclobutanone
CAS Registry Number 98678-20-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14OS
InChI InChI=1S/C13H14OS/c1-2-9-13(10-8-12(13)14)15-11-6-4-3-5-7-11/h2-7H,1,8-10H2
InChIKey DXQHBYBZVFMPNR-UHFFFAOYSA-N
Molecular Weight 218.314 g/mol
SMILES C1(C(=O)CC1)(Sc1ccccc1)CC=C
SPLASH splash10-014i-0190000000-b7f671383f9dd4f9419e
Source of Spectrum J-50-4598-19
Wiley ID 1217665