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Benzoic acid, 3-[[(2-bromoethyl)amino]sulfonyl]-
SpectraBase Compound ID EYJmXTD7yrU
InChI InChI=1S/C9H10BrNO4S/c10-4-5-11-16(14,15)8-3-1-2-7(6-8)9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChIKey KLYJUPJHRYQGKU-UHFFFAOYSA-N
Mol Weight 308.15 g/mol
Molecular Formula C9H10BrNO4S
Exact Mass 306.951392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SeZOfmhYyt
Name Benzoic acid, 3-[[(2-bromoethyl)amino]sulfonyl]-
Alternate Name(s) 3-(N-(2-bromoethyl)sulfamoyl)benzoic acid 3-[(2-bromoethyl)sulfamoyl]benzoic acid
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Formula C9H10BrNO4S
InChI InChI=1S/C9H10BrNO4S/c10-4-5-11-16(14,15)8-3-1-2-7(6-8)9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChIKey KLYJUPJHRYQGKU-UHFFFAOYSA-N
Molecular Weight 308.146 g/mol
SMILES OC(c1cccc(S(=O)(=O)NCCBr)c1)=O
SPLASH splash10-02if-9320000000-f937eee1215558c2b958
Source of Spectrum JX-2015-2-1876
Wiley ID 1723492