For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pentanoic acid 5-[Hexahydro-2-oxo-1,3-dibenzyl-4H-thieno[3,4-d]imidazol-3,5-dienyl] methyl ester
SpectraBase Compound ID DJpoaszCQHJ
InChI InChI=1S/C25H26N2O3S/c1-30-23(28)15-9-8-14-22-24-21(18-31-22)26(16-19-10-4-2-5-11-19)25(29)27(24)17-20-12-6-3-7-13-20/h2-14,21,24H,15-18H2,1H3/b9-8+,22-14+/t21-,24-/m0/s1
InChIKey CPTGKNHRPAMVRE-NIPMKZCASA-N
Mol Weight 434.55 g/mol
Molecular Formula C25H26N2O3S
Exact Mass 434.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FMitq2Soml2
Name Pentanoic acid 5-[Hexahydro-2-oxo-1,3-dibenzyl-4H-thieno[3,4-d]imidazol-3,5-dienyl] methyl ester
Alternate Name(s) (E,5E)-5-[(3aS,6aR)-2-oxo-1,3-bis(phenylmethyl)-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-ylidene]-3-pentenoic acid methyl ester Methyl (E,5E)-5-[(3aS,6aR)-1,3-dibenzyl-2-oxo-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-ylidene]pent-3-enoate Methyl (E,5E)-5-[(3aS,6aR)-2-oxidanylidene-1,3-bis(phenylmethyl)-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-ylidene]pent-3-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26N2O3S
InChI InChI=1S/C25H26N2O3S/c1-30-23(28)15-9-8-14-22-24-21(18-31-22)26(16-19-10-4-2-5-11-19)25(29)27(24)17-20-12-6-3-7-13-20/h2-14,21,24H,15-18H2,1H3/b9-8+,22-14+/t21-,24-/m0/s1
InChIKey CPTGKNHRPAMVRE-NIPMKZCASA-N
Molecular Weight 434.554 g/mol
SMILES C1(N([C@]2(CS\C([C@]2(N1Cc1ccccc1)[H])=C/C=C/CC(=O)OC)[H])Cc1ccccc1)=O
SPLASH splash10-0006-9200000000-9e9bb4189bb3702f3efb
Source of Spectrum J-66-6200-19
Wiley ID 1535861