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3-(2-{CYANO-[3-(2-METHOXYCARBONYLETHYL)-4-METHOXYCARBONYLMETHYL-5-THIOXO-1,5-DIHYDRO-PYRROL-2-YLIDENE]METHYL}-4-METHOXYCARBONYLMETHYL
SpectraBase Compound ID 1kdEAzCtoR6
InChI InChI=1S/C24H27N3O8S/c1-32-18(28)7-5-14-13(9-20(30)34-3)12-26-22(14)17(11-25)23-15(6-8-19(29)33-2)16(24(36)27-23)10-21(31)35-4/h12,26H,5-10H2,1-4H3,(H,27,36)/b23-17+
InChIKey JZIIOQHYGHDELT-HAVVHWLPSA-N
Mol Weight 517.55 g/mol
Molecular Formula C24H27N3O8S
Exact Mass 517.151886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETVZACvChVn
Name 3-(2-{CYANO-[3-(2-METHOXYCARBONYLETHYL)-4-METHOXYCARBONYLMETHYL-5-THIOXO-1,5-DIHYDRO-PYRROL-2-YLIDENE]METHYL}-4-METHOXYCARBONYLMETHYL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H27N3O8S
InChI InChI=1S/C24H27N3O8S/c1-32-18(28)7-5-14-13(9-20(30)34-3)12-26-22(14)17(11-25)23-15(6-8-19(29)33-2)16(24(36)27-23)10-21(31)35-4/h12,26H,5-10H2,1-4H3,(H,27,36)/b23-17+
InChIKey JZIIOQHYGHDELT-HAVVHWLPSA-N
Molecular Weight 517.1512
SMILES N1\C(=C\(c2c(c(c[nH]2)CC(OC)=O)CCC(OC)=O)C#N)C(CCC(OC)=O)=C(CC(OC)=O)C1=S
SPLASH splash10-00xr-3459320000-ed0d76626582b3742687
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany