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4H-Imidazole-4,4-dicarboxylic acid, 5-(ethylthio)-2,3-dihydro-2,3-diphenyl-, dimethyl ester
SpectraBase Compound ID 6YMTKmo51va
InChI InChI=1S/C21H22N2O4S/c1-4-28-18-21(19(24)26-2,20(25)27-3)23(16-13-9-6-10-14-16)17(22-18)15-11-7-5-8-12-15/h5-14,17H,4H2,1-3H3
InChIKey HDRDANDDXCUGBS-UHFFFAOYSA-N
Mol Weight 398.48 g/mol
Molecular Formula C21H22N2O4S
Exact Mass 398.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJBiRP0mXLK
Name 4H-Imidazole-4,4-dicarboxylic acid, 5-(ethylthio)-2,3-dihydro-2,3-diphenyl-, dimethyl ester
CAS Registry Number 62872-08-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O4S
InChI InChI=1S/C21H22N2O4S/c1-4-28-18-21(19(24)26-2,20(25)27-3)23(16-13-9-6-10-14-16)17(22-18)15-11-7-5-8-12-15/h5-14,17H,4H2,1-3H3
InChIKey HDRDANDDXCUGBS-UHFFFAOYSA-N
Molecular Weight 398.477 g/mol
SMILES C1(N(C(c2ccccc2)N=C1SCC)c1ccccc1)(C(=O)OC)C(=O)OC
SPLASH splash10-000i-1209000000-b0be46752ac73b840f8b
Source of Spectrum F-32-2531-0
Synonyms 4-Ethylthio-5-bis(methoxycarbonyl)-1,2-diphenyl-3-imidazoline Dimethyl 5-(ethylsulfanyl)-2,3-diphenyl-2,3-dihydro-4H-imidazole-4,4-dicarboxylate
Wiley ID 1368353