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6-bromanyl-1-(4-methylphenyl)sulfonyl-indole-3-carbaldehyde
SpectraBase Compound ID 9Lk8zbs8OHh
InChI InChI=1S/C16H12BrNO3S/c1-11-2-5-14(6-3-11)22(20,21)18-9-12(10-19)15-7-4-13(17)8-16(15)18/h2-10H,1H3
InChIKey MTDRMHHIOXRNTO-UHFFFAOYSA-N
Mol Weight 378.24 g/mol
Molecular Formula C16H12BrNO3S
Exact Mass 376.972127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQgVE3MDGgQ
Name 6-bromanyl-1-(4-methylphenyl)sulfonyl-indole-3-carbaldehyde
Alternate Name(s) 6-bromo-1-(4-methylphenyl)sulfonyl-3-indolecarboxaldehyde 6-bromo-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde 6-bromo-1-(p-tolylsulfonyl)indole-3-carbaldehyde 6-bromo-1-tosyl-indole-3-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C16H12BrNO3S
InChI InChI=1S/C16H12BrNO3S/c1-11-2-5-14(6-3-11)22(20,21)18-9-12(10-19)15-7-4-13(17)8-16(15)18/h2-10H,1H3
InChIKey MTDRMHHIOXRNTO-UHFFFAOYSA-N
Molecular Weight 378.240 g/mol
SMILES c1[n](c2cc(ccc2c1C=O)Br)S(=O)(=O)c1ccc(C)cc1
SPLASH splash10-056r-0409000000-2add97abd30403746914
Source of Spectrum J-66-4867-9
Wiley ID 1535526