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3,4-Benzo-2-sulfoxybicyclo[3.1.0]hex-3-ene
SpectraBase Compound ID IuTGa0yscxs
InChI InChI=1S/C9H8O2S/c10-12(11)8-4-2-1-3-6(8)7-5-9(7)12/h1-4,7,9H,5H2
InChIKey UMKVTEZGCDAVLG-UHFFFAOYSA-N
Mol Weight 180.22 g/mol
Molecular Formula C9H8O2S
Exact Mass 180.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JogffYtwt2
Name 3,4-Benzo-2-sulfoxybicyclo[3.1.0]hex-3-ene
Alternate Name(s) 1a,6b-dihydro-1H-cyclopropa[b][1]benzothiole 2,2-dioxide
CAS Registry Number 148323-41-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O2S
InChI InChI=1S/C9H8O2S/c10-12(11)8-4-2-1-3-6(8)7-5-9(7)12/h1-4,7,9H,5H2
InChIKey UMKVTEZGCDAVLG-UHFFFAOYSA-N
Molecular Weight 180.221 g/mol
SMILES C12S(c3c(C2C1)cccc3)(=O)=O
SPLASH splash10-0a4i-0900000000-3bab5d81fc9b3f9e402e
Source of Spectrum QC-4-487-8
Wiley ID 883196