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Ethyl (2E,5Z)-6-[5,7-bis(ethoxycarbonyl)-2,3-dihydro-1H-pyrrolo[1,2-a]imidazol-1-yl]-6-phenyl-4-thiahexa-2,5-dienoate
SpectraBase Compound ID HKDLZowZCYN
InChI InChI=1S/C25H28N2O6S/c1-4-31-22(28)12-15-34-17-21(18-10-8-7-9-11-18)27-14-13-26-20(25(30)33-6-3)16-19(23(26)27)24(29)32-5-2/h7-12,15-17H,4-6,13-14H2,1-3H3/b15-12+,21-17-
InChIKey ALJCFHCSWIFGSK-BUTFHRKVSA-N
Mol Weight 484.57 g/mol
Molecular Formula C25H28N2O6S
Exact Mass 484.166808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdGZynGbSEv
Name Ethyl (2E,5Z)-6-[5,7-bis(ethoxycarbonyl)-2,3-dihydro-1H-pyrrolo[1,2-a]imidazol-1-yl]-6-phenyl-4-thiahexa-2,5-dienoate
Alternate Name(s) Diethyl 1-((Z)-2-{[(1E)-3-ethoxy-3-oxo-1-propenyl]sulfanyl}-1-phenylethenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate
CAS Registry Number 139313-24-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O6S
InChI InChI=1S/C25H28N2O6S/c1-4-31-22(28)12-15-34-17-21(18-10-8-7-9-11-18)27-14-13-26-20(25(30)33-6-3)16-19(23(26)27)24(29)32-5-2/h7-12,15-17H,4-6,13-14H2,1-3H3/b15-12+,21-17-
InChIKey ALJCFHCSWIFGSK-BUTFHRKVSA-N
Molecular Weight 484.567 g/mol
SMILES c12c(cc([n]2CCN1\C(=C/S\C=C\C(=O)OCC)c1ccccc1)C(=O)OCC)C(=O)OCC
SPLASH splash10-0ue9-1972800000-49432fc9f832dcaf093e
Source of Spectrum J-57-2351-7
Wiley ID 1395973