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BRNMIIDEQOJZTP-UHFFFAOYSA-N
SpectraBase Compound ID 26XVIeoB6vB
InChI InChI=1S/C9H8O2S/c1-7-6-8-4-2-3-5-9(8)12(7,10)11/h2-6H,1H3
InChIKey BRNMIIDEQOJZTP-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 GYWNvc310sk
Name 2-Methylbenzo[b]thiophene 1,1-dioxide
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.024500670 u
Formula C9H8O2S
InChI InChI=1S/C9H8O2S/c1-7-6-8-4-2-3-5-9(8)12(7,10)11/h2-6H,1H3
InChIKey BRNMIIDEQOJZTP-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Molecular Weight 180.221 g/mol
Quality 128
SMILES C1=CC2=C(C=C1)S(C(=C2)C)(=O)=O
SPLASH splash10-000i-0900000000-34e49d7260dddb7e10a8
Source of Spectrum ACI-56-SM12-3a (DOI: 10.1002/anie.201701409)
Wiley ID 1895788