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2-[(3-tert-butoxy-3-keto-prop-1-ynyl)-tosyl-amino]-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID BXIs7gWyNYC
InChI InChI=1S/C24H27NO6S/c1-18-11-13-20(14-12-18)32(28,29)25(16-15-22(26)31-24(2,3)4)21(23(27)30-5)17-19-9-7-6-8-10-19/h6-14,21H,17H2,1-5H3/t21-/m0/s1
InChIKey DEUZRWRTBUPBHK-NRFANRHFSA-N
Mol Weight 457.54 g/mol
Molecular Formula C24H27NO6S
Exact Mass 457.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8IUWqzMO5Q
Name 2-[(3-tert-butoxy-3-keto-prop-1-ynyl)-tosyl-amino]-3-phenyl-propionic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C24H27NO6S
InChI InChI=1S/C24H27NO6S/c1-18-11-13-20(14-12-18)32(28,29)25(16-15-22(26)31-24(2,3)4)21(23(27)30-5)17-19-9-7-6-8-10-19/h6-14,21H,17H2,1-5H3/t21-/m0/s1
InChIKey DEUZRWRTBUPBHK-NRFANRHFSA-N
Molecular Weight 457.541 g/mol
SMILES C(N(S(c1ccc(cc1)C)(=O)=O)[C@](C(=O)OC)(Cc1ccccc1)[H])#CC(OC(C)(C)C)=O
SPLASH splash10-0udi-0000900000-c5b0b7165957a2e7c340
Source of Spectrum J-61-5446-40
Synonyms 2-[(4-methylphenyl)sulfonyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-ynyl]amino]-3-phenylpropanoic acid methyl ester methyl 2-[(3-tert-butoxy-3-oxo-prop-1-ynyl)-(p-tolylsulfonyl)amino]-3-phenyl-propanoate methyl 2-[(4-methylphenyl)sulfonyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-ynyl]amino]-3-phenyl-propanoate methyl 2-[(4-methylphenyl)sulfonyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-ynyl]amino]-3-phenylpropanoate
Wiley ID 1389619