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N-[3-(1-besylimidazol-4-yl)prop-2-ynyl]-N-tert-butoxycarbonyl-carbamic acid tert-butyl ester
SpectraBase Compound ID 3euLc9qTOyG
InChI InChI=1S/C22H27N3O6S/c1-21(2,3)30-19(26)25(20(27)31-22(4,5)6)14-10-11-17-15-24(16-23-17)32(28,29)18-12-8-7-9-13-18/h7-9,12-13,15-16H,14H2,1-6H3
InChIKey JIKXVSSUVWJPKP-UHFFFAOYSA-N
Mol Weight 461.53 g/mol
Molecular Formula C22H27N3O6S
Exact Mass 461.162057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0FvBPmbJei
Name N-[3-(1-besylimidazol-4-yl)prop-2-ynyl]-N-tert-butoxycarbonyl-carbamic acid tert-butyl ester
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Formula C22H27N3O6S
InChI InChI=1S/C22H27N3O6S/c1-21(2,3)30-19(26)25(20(27)31-22(4,5)6)14-10-11-17-15-24(16-23-17)32(28,29)18-12-8-7-9-13-18/h7-9,12-13,15-16H,14H2,1-6H3
InChIKey JIKXVSSUVWJPKP-UHFFFAOYSA-N
Molecular Weight 461.533 g/mol
SMILES c1(S([n]2cc(C#CCN(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)nc2)(=O)=O)ccccc1
SPLASH splash10-08fr-0907000000-d8557364080c9b0d90e0
Source of Spectrum AT-39-2544-5
Synonyms N-[3-[1-(benzenesulfonyl)-4-imidazolyl]prop-2-ynyl]-N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester tert-Butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[1-(phenylsulfonyl)imidazol-4-yl]prop-2-ynyl]carbamate tert-Butyl N-[3-[1-(benzenesulfonyl)imidazol-4-yl]prop-2-ynyl]-N-tert-butoxycarbonyl-carbamate tert-Butyl N-[3-[1-(benzenesulfonyl)imidazol-4-yl]prop-2-ynyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Wiley ID 854093