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[3-(1-Benzenesulfonyl-1H-imidazol-4-yl)prop-2-ynyl]carbamic acid tert-Butyl ester
SpectraBase Compound ID Z5ziiWXsx8
InChI InChI=1S/C17H19N3O4S/c1-17(2,3)24-16(21)18-11-7-8-14-12-20(13-19-14)25(22,23)15-9-5-4-6-10-15/h4-6,9-10,12-13H,11H2,1-3H3,(H,18,21)
InChIKey TWWQKRZWWKJILO-UHFFFAOYSA-N
Mol Weight 361.42 g/mol
Molecular Formula C17H19N3O4S
Exact Mass 361.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Zw291fPEcF
Name [3-(1-Benzenesulfonyl-1H-imidazol-4-yl)prop-2-ynyl]carbamic acid tert-Butyl ester
Alternate Name(s) tert-Butyl 3-[1-(phenylsulfonyl)-1H-imidazol-4-yl]-2-propynylcarbamate N-[3-[1-(benzenesulfonyl)-4-imidazolyl]prop-2-ynyl]carbamic acid tert-butyl ester tert-Butyl N-[3-[1-(benzenesulfonyl)imidazol-4-yl]prop-2-ynyl]carbamate tert-Butyl N-[3-[1-(phenylsulfonyl)imidazol-4-yl]prop-2-ynyl]carbamate
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Formula C17H19N3O4S
InChI InChI=1S/C17H19N3O4S/c1-17(2,3)24-16(21)18-11-7-8-14-12-20(13-19-14)25(22,23)15-9-5-4-6-10-15/h4-6,9-10,12-13H,11H2,1-3H3,(H,18,21)
InChIKey TWWQKRZWWKJILO-UHFFFAOYSA-N
Molecular Weight 361.416 g/mol
SMILES N(C(=O)OC(C)(C)C)CC#Cc1nc[n](c1)S(=O)(=O)c1ccccc1
SPLASH splash10-08fr-7901000000-b1f0752bc0375cb4dea6
Source of Spectrum J-65-2808-11
Wiley ID 1532540