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3H-2,1-benzoxathiolan-3-one 1-oxide
SpectraBase Compound ID 1OpC4J1PrzY
InChI InChI=1S/C7H4O3S/c8-7-5-3-1-2-4-6(5)11(9)10-7/h1-4H
InChIKey ZKWLBCVFJMSPKS-UHFFFAOYSA-N
Mol Weight 168.17 g/mol
Molecular Formula C7H4O3S
Exact Mass 167.988115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0KWjUEyPD1
Name 3H-2,1-benzoxathiolan-3-one 1-oxide
CAS Registry Number 127183-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4O3S
InChI InChI=1S/C7H4O3S/c8-7-5-3-1-2-4-6(5)11(9)10-7/h1-4H
InChIKey ZKWLBCVFJMSPKS-UHFFFAOYSA-N
Molecular Weight 168.166 g/mol
SMILES C1(OS(c2c1cccc2)=O)=O
SPLASH splash10-0ufr-9700000000-1afdfbc46e36c6a11bbf
Source of Spectrum J-55-4699-16
Synonyms 1-Oxo-2,1$l^{4}-benzoxathiol-3-one 1-Oxidanylidene-2,1$l^{4}-benzoxathiol-3-one
Wiley ID 1163990