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4H-1-Benzothiopyran-4-one, 3,3-dibromo-2,3-dihydro-, 1-oxide
SpectraBase Compound ID H7K3XHJaac2
InChI InChI=1S/C9H6Br2O2S/c10-9(11)5-14(13)7-4-2-1-3-6(7)8(9)12/h1-4H,5H2
InChIKey NKMWXSHZICVZGG-UHFFFAOYSA-N
Mol Weight 338.01 g/mol
Molecular Formula C9H6Br2O2S
Exact Mass 335.845527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNp4ssUFO64
Name 4H-1-Benzothiopyran-4-one, 3,3-dibromo-2,3-dihydro-, 1-oxide
Alternate Name(s) 3,3-Dibromo-2,3-dihydro-4H-1-benzothiopyran-4-one 1-oxide 3,3-Dibromothiochroman-4-one S-oxide Thiochroman-4-one, 3,3-dibromo-, 1-oxide
CAS Registry Number 23171-63-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6Br2O2S
InChI InChI=1S/C9H6Br2O2S/c10-9(11)5-14(13)7-4-2-1-3-6(7)8(9)12/h1-4H,5H2
InChIKey NKMWXSHZICVZGG-UHFFFAOYSA-N
Molecular Weight 338.013 g/mol
SMILES C1S(c2c(C(C1(Br)Br)=O)cccc2)=O
SPLASH splash10-0pb9-0930000000-bbdca3c468e81d7bcb1a
Source of Spectrum KC-1982-400-0
Wiley ID 1331940