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N-(tert-Butyl)-4-chloro-2-[(phenylmethyl)sulfonamido]benzamide
SpectraBase Compound ID 34MYK7Bc7Sv
InChI InChI=1S/C18H21ClN2O3S/c1-18(2,3)20-17(22)15-10-9-14(19)11-16(15)21-25(23,24)12-13-7-5-4-6-8-13/h4-11,21H,12H2,1-3H3,(H,20,22)
InChIKey KUNHJQAETQVYNK-UHFFFAOYSA-N
Mol Weight 380.89 g/mol
Molecular Formula C18H21ClN2O3S
Exact Mass 380.096141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwadhvVQK7a
Name N-(tert-Butyl)-4-chloro-2-[(phenylmethyl)sulfonamido]benzamide
Appearance Yellow solid
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Exact Mass 380.096141415 u
Formula C18H21ClN2O3S
InChI InChI=1S/C18H21ClN2O3S/c1-18(2,3)20-17(22)15-10-9-14(19)11-16(15)21-25(23,24)12-13-7-5-4-6-8-13/h4-11,21H,12H2,1-3H3,(H,20,22)
InChIKey KUNHJQAETQVYNK-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201511689
Molecular Weight 380.890 g/mol
Quality 153
Reported Formula C18H21ClN2O3S
SMILES N(C=1C=C(C=CC1C(=O)NC(C)(C)C)Cl)S(=O)(=O)CC1=CC=CC=C1
SPLASH splash10-000x-9004000000-fecd88c5ac8bda548c1c
Source of Spectrum ACI-55-SM6-3m (DOI: 10.1002/anie.201511689)
Wiley ID 1895210