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Ethyl (2E,5Z)-6-[5-(4'-bromobenzoyl)-2,3-dihydro-7-(ethoxycarbonyl)-1H-pyrrolo[1,2-a]imidazol-1-yl]-4-thiahepta-2,5-dienoate
SpectraBase Compound ID JIrm3DAwxf4
InChI InChI=1S/C24H25BrN2O5S/c1-4-31-21(28)10-13-33-15-16(3)26-11-12-27-20(14-19(23(26)27)24(30)32-5-2)22(29)17-6-8-18(25)9-7-17/h6-10,13-15H,4-5,11-12H2,1-3H3/b13-10+,16-15-
InChIKey YGMUJKZFEKCQPT-XMQQHHPKSA-N
Mol Weight 533.44 g/mol
Molecular Formula C24H25BrN2O5S
Exact Mass 532.066756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45afvkFwVE
Name Ethyl (2E,5Z)-6-[5-(4'-bromobenzoyl)-2,3-dihydro-7-(ethoxycarbonyl)-1H-pyrrolo[1,2-a]imidazol-1-yl]-4-thiahepta-2,5-dienoate
CAS Registry Number 139313-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25BrN2O5S
InChI InChI=1S/C24H25BrN2O5S/c1-4-31-21(28)10-13-33-15-16(3)26-11-12-27-20(14-19(23(26)27)24(30)32-5-2)22(29)17-6-8-18(25)9-7-17/h6-10,13-15H,4-5,11-12H2,1-3H3/b13-10+,16-15-
InChIKey YGMUJKZFEKCQPT-XMQQHHPKSA-N
Molecular Weight 533.437 g/mol
SMILES c12c(cc([n]2CCN1\C(=C/S\C=C\C(=O)OCC)C)C(c1ccc(cc1)Br)=O)C(=O)OCC
SPLASH splash10-001i-0903240000-e64dad68f262cb416bb0
Source of Spectrum J-57-2351-7
Synonyms Ethyl 5-(4-bromobenzoyl)-1-((Z)-2-{[(1E)-3-ethoxy-3-oxo-1-propenyl]sulfanyl}-1-methylethenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]imidazole-7-carboxylate
Wiley ID 1403553