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4H-1-Benzothiopyran-4-one, 3-bromo-2-(dimethylamino)-, 1,1-dioxide
SpectraBase Compound ID C1U9XQOEtXX
InChI InChI=1S/C11H10BrNO3S/c1-13(2)11-9(12)10(14)7-5-3-4-6-8(7)17(11,15)16/h3-6H,1-2H3
InChIKey HBKIPCQFJRPNAO-UHFFFAOYSA-N
Mol Weight 316.17 g/mol
Molecular Formula C11H10BrNO3S
Exact Mass 314.956477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlsxFzg3bH5
Name 4H-1-Benzothiopyran-4-one, 3-bromo-2-(dimethylamino)-, 1,1-dioxide
Alternate Name(s) 3-Bromo-2-(dimethylamino)-4H-1-benzothiopyran-4-one 1,1-dioxide 4H-2-dimethylamino-3-bromo-4-oxo-1-benzothiopyran 1,1-dioxide
CAS Registry Number 116884-66-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10BrNO3S
InChI InChI=1S/C11H10BrNO3S/c1-13(2)11-9(12)10(14)7-5-3-4-6-8(7)17(11,15)16/h3-6H,1-2H3
InChIKey HBKIPCQFJRPNAO-UHFFFAOYSA-N
Molecular Weight 316.169 g/mol
SMILES C=1(S(c2c(C(C1Br)=O)cccc2)(=O)=O)N(C)C
SPLASH splash10-00di-0934000000-f1bee935c54bf25761d7
Source of Spectrum KC-1988-1831-2
Wiley ID 1315768