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4-(4-t-Butoxycarbonylmethyl-5-cyano-2-[4-(2-methoxycarbonylethyl)-3,3-dimethyl-5-oxopyrrolidin-2-ylidenemethylthio]-4,5-dimethyl-.delta.1-pyrroline

View entire compound with spectra: 1 MS (GC)

4-(4-t-Butoxycarbonylmethyl-5-cyano-2-[4-(2-methoxycarbonylethyl)-3,3-dimethyl-5-oxopyrrolidin-2-ylidenemethylthio]-4,5-dimethyl-.delta.1-pyrroline
SpectraBase Compound ID KuDPb4fpwTL
InChI InChI=1S/C28H41N3O7S/c1-25(2,3)38-22(34)14-27(6)18(11-13-21(33)37-9)24(31-28(27,7)16-29)39-15-19-26(4,5)17(23(35)30-19)10-12-20(32)36-8/h15,17-18H,10-14H2,1-9H3,(H,30,35)/b19-15+
InChIKey TXMKEIJYJNVGQJ-XDJHFCHBSA-N
Mol Weight 563.7 g/mol
Molecular Formula C28H41N3O7S
Exact Mass 563.266522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 647MNds4REm
Name 4-(4-t-Butoxycarbonylmethyl-5-cyano-2-[4-(2-methoxycarbonylethyl)-3,3-dimethyl-5-oxopyrrolidin-2-ylidenemethylthio]-4,5-dimethyl-.delta.1-pyrroline
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H41N3O7S
InChI InChI=1S/C28H41N3O7S/c1-25(2,3)38-22(34)14-27(6)18(11-13-21(33)37-9)24(31-28(27,7)16-29)39-15-19-26(4,5)17(23(35)30-19)10-12-20(32)36-8/h15,17-18H,10-14H2,1-9H3,(H,30,35)/b19-15+
InChIKey TXMKEIJYJNVGQJ-XDJHFCHBSA-N
Molecular Weight 563.710 g/mol
SMILES N1\C(C(C(C1=O)CCC(OC)=O)(C)C)=C\SC=1C(C(C)(CC(OC(C)(C)C)=O)C(C#N)(C)N1)CCC(=O)OC
SPLASH splash10-0abc-9632400000-c2d96b51bfefb0e24369
Synonyms Methyl 3-[(5E)-5-(([3-(2-tert-butoxy-2-oxoethyl)-2-cyano-4-(3-methoxy-3-oxopropyl)-2,3-dimethyl-3,4-dihydro-2H-pyrrol-5-yl]sulfanyl)methylene)-4,4-dimethyl-2-oxopyrrolidinyl]propanoate
Wiley ID 1487232