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N-(tert-Butyl)-4-fluoro-2-[(phenylmethyl)sulfonamido]benzamide
SpectraBase Compound ID 3x10cGebs68
InChI InChI=1S/C18H21FN2O3S/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 RZHUIAMWZFLWKP-UHFFFAOYSA-N
Mol Weight 364.44 g/mol
Molecular Formula C18H21FN2O3S
Exact Mass 364.125692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXCvyPE1TOe
Name N-(tert-Butyl)-4-fluoro-2-[(phenylmethyl)sulfonamido]benzamide
Appearance Orange solid
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Exact Mass 364.125691878 u
Formula C18H21FN2O3S
InChI InChI=1S/C18H21FN2O3S/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 RZHUIAMWZFLWKP-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201511689
Molecular Weight 364.435 g/mol
Quality 89
Reported Formula C18H21FN2O3S
SMILES N(C=1C=C(C=CC1C(=O)NC(C)(C)C)F)S(=O)(=O)CC1=CC=CC=C1
SPLASH splash10-0006-9002000000-9df4edb82ab5315cc0b5
Source of Spectrum ACI-55-SM6-3l (DOI: 10.1002/anie.201511689)
Wiley ID 1895209