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t-Butyl (Z)-2-[(benzyloxy)carbonylamino]-3-{ 1'-[(4"-methylphenyl)sulfonyl]-1H-pyrrol-2'-yl}prop-2-enoate
SpectraBase Compound ID CkHjFidKy8A
InChI InChI=1S/C26H28N2O6S/c1-19-12-14-22(15-13-19)35(31,32)28-16-8-11-21(28)17-23(24(29)34-26(2,3)4)27-25(30)33-18-20-9-6-5-7-10-20/h5-17H,18H2,1-4H3,(H,27,30)/b23-17-
InChIKey UBDDWALGAIYTAP-QJOMJCCJSA-N
Mol Weight 496.58 g/mol
Molecular Formula C26H28N2O6S
Exact Mass 496.166808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CQp8iuCuFy
Name t-Butyl (Z)-2-[(benzyloxy)carbonylamino]-3-{ 1'-[(4"-methylphenyl)sulfonyl]-1H-pyrrol-2'-yl}prop-2-enoate
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Formula C26H28N2O6S
InChI InChI=1S/C26H28N2O6S/c1-19-12-14-22(15-13-19)35(31,32)28-16-8-11-21(28)17-23(24(29)34-26(2,3)4)27-25(30)33-18-20-9-6-5-7-10-20/h5-17H,18H2,1-4H3,(H,27,30)/b23-17-
InChIKey UBDDWALGAIYTAP-QJOMJCCJSA-N
Molecular Weight 496.578 g/mol
SMILES N(C(=O)OCc1ccccc1)\C(=C/c1[n](S(c2ccc(cc2)C)(=O)=O)ccc1)C(OC(C)(C)C)=O
SPLASH splash10-052f-9400000000-52ef763add6e66b36d36
Source of Spectrum H-77-1405-0
Synonyms tert-Butyl (2Z)-2-{[(benzyloxy)carbonyl]amino}-3-{1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-2-yl}-2-propenoate
Wiley ID 1398221