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5-Bromo-N-(tert-butyl)-2-[(phenylmethyl)sulfonamido]benzamide
SpectraBase Compound ID GuyiqgpZm5o
InChI InChI=1S/C18H21BrN2O3S/c1-18(2,3)20-17(22)15-11-14(19)9-10-16(15)21-25(23,24)12-13-7-5-4-6-8-13/h4-11,21H,12H2,1-3H3,(H,20,22)
InChIKey KPHQEFSSLQSXQC-UHFFFAOYSA-N
Mol Weight 425.34 g/mol
Molecular Formula C18H21BrN2O3S
Exact Mass 424.045627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOg0CBk8EId
Name 5-Bromo-N-(tert-butyl)-2-[(phenylmethyl)sulfonamido]benzamide
Appearance White solid
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Exact Mass 424.045626715 u
Formula C18H21BrN2O3S
InChI InChI=1S/C18H21BrN2O3S/c1-18(2,3)20-17(22)15-11-14(19)9-10-16(15)21-25(23,24)12-13-7-5-4-6-8-13/h4-11,21H,12H2,1-3H3,(H,20,22)
InChIKey KPHQEFSSLQSXQC-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201511689
Molecular Weight 425.341 g/mol
Quality 71
Reported Formula C18H21BrN2O3S
SMILES N(C=1C=CC(=CC1C(=O)NC(C)(C)C)Br)S(=O)(=O)CC1=CC=CC=C1
SPLASH splash10-0006-9010000000-3aab1ad836fe351fe9cf
Source of Spectrum ACI-55-SM6-3k (DOI: 10.1002/anie.201511689)
Wiley ID 1895208