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Methyl (Z)-2-(t-butoxycarbonyl)-4-methyl-5-[3-methyl-5-oxo-4-(2-tosylethyl)-1,5-dihydro-2H-pyrrol-2-ylidene]methylpyrrole-3-propionate
SpectraBase Compound ID II4U90m64YL
InChI InChI=1S/C29H36N2O7S/c1-17-8-10-20(11-9-17)39(35,36)15-14-22-19(3)24(31-27(22)33)16-23-18(2)21(12-13-25(32)37-7)26(30-23)28(34)38-29(4,5)6/h8-11,16,30H,12-15H2,1-7H3,(H,31,33)/b24-16-
InChIKey IUTFXQAVDVADAQ-JLPGSUDCSA-N
Mol Weight 556.7 g/mol
Molecular Formula C29H36N2O7S
Exact Mass 556.224323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tskC20pfV6
Name Methyl (Z)-2-(t-butoxycarbonyl)-4-methyl-5-[3-methyl-5-oxo-4-(2-tosylethyl)-1,5-dihydro-2H-pyrrol-2-ylidene]methylpyrrole-3-propionate
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Formula C29H36N2O7S
InChI InChI=1S/C29H36N2O7S/c1-17-8-10-20(11-9-17)39(35,36)15-14-22-19(3)24(31-27(22)33)16-23-18(2)21(12-13-25(32)37-7)26(30-23)28(34)38-29(4,5)6/h8-11,16,30H,12-15H2,1-7H3,(H,31,33)/b24-16-
InChIKey IUTFXQAVDVADAQ-JLPGSUDCSA-N
Molecular Weight 556.674 g/mol
SMILES [nH]1c(c(c(c1\C=C/1C(=C(C(N1)=O)CCS(c1ccc(cc1)C)(=O)=O)C)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-0udi-3027290000-16b0a9d6233f24beb2b8
Source of Spectrum AJ-67-3092-16
Synonyms tert-Butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(Z)-(3-methyl-4-{2-[(4-methylphenyl)sulfonyl]ethyl}-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrole-2-carboxylate 3-(3-Methoxy-3-oxopropyl)-4-methyl-5-[(Z)-[3-methyl-4-[2-(4-methylphenyl)sulfonylethyl]-5-oxo-2-pyrrolylidene]methyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester tert-Butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(Z)-[3-methyl-4-[2-(4-methylphenyl)sulfonylethyl]-5-oxopyrrol-2-ylidene]methyl]-1H-pyrrole-2-carboxylate tert-Butyl 3-(3-methoxy-3-oxo-propyl)-4-methyl-5-[(Z)-[3-methyl-5-oxo-4-[2-(p-tolylsulfonyl)ethyl]pyrrol-2-ylidene]methyl]-1H-pyrrole-2-carboxylate tert-Butyl 3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-5-[(Z)-[3-methyl-4-[2-(4-methylphenyl)sulfonylethyl]-5-oxidanylidene-pyrrol-2-ylidene]methyl]-1H-pyrrole-2-carboxylate
Wiley ID 772845