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4H-1-Benzothiopyran-4-one, 3-bromo-2-(methylamino)-, 1,1-dioxide
SpectraBase Compound ID CDAPwLSdJ0F
InChI InChI=1S/C10H8BrNO3S/c1-12-10-8(11)9(13)6-4-2-3-5-7(6)16(10,14)15/h2-5,12H,1H3
InChIKey MLFIEJKPRUMEHS-UHFFFAOYSA-N
Mol Weight 302.14 g/mol
Molecular Formula C10H8BrNO3S
Exact Mass 300.940827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVVn733xGjH
Name 4H-1-Benzothiopyran-4-one, 3-bromo-2-(methylamino)-, 1,1-dioxide
CAS Registry Number 116884-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8BrNO3S
InChI InChI=1S/C10H8BrNO3S/c1-12-10-8(11)9(13)6-4-2-3-5-7(6)16(10,14)15/h2-5,12H,1H3
InChIKey MLFIEJKPRUMEHS-UHFFFAOYSA-N
Molecular Weight 302.142 g/mol
SMILES N(C=1S(c2c(C(=O)C1Br)cccc2)(=O)=O)C
SPLASH splash10-0zg0-0569000000-2ec58a41bd62442e445b
Source of Spectrum KC-1988-1831-2
Synonyms 3-Bromo-2-(methylamino)-4H-1-benzothiopyran-4-one 1,1-dioxide 4H-2-methylamino-3-bromo-4-oxo-1-benzothiopyran 1,1-dioxide
Wiley ID 1303559