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Diethyl 1-isobutyl-2-sulfanyl-1H-imidazole-4,5-dicarboxylate
SpectraBase Compound ID 46erJFyHaBK
InChI InChI=1S/C13H20N2O4S/c1-5-18-11(16)9-10(12(17)19-6-2)15(7-8(3)4)13(20)14-9/h8H,5-7H2,1-4H3,(H,14,20)
InChIKey OQAXXNQOTDEXJT-UHFFFAOYSA-N
Mol Weight 300.37 g/mol
Molecular Formula C13H20N2O4S
Exact Mass 300.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LyBJ9n8yKvR
Name Diethyl 1-isobutyl-2-sulfanyl-1H-imidazole-4,5-dicarboxylate
CAS Registry Number 33457-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20N2O4S
InChI InChI=1S/C13H20N2O4S/c1-5-18-11(16)9-10(12(17)19-6-2)15(7-8(3)4)13(20)14-9/h8H,5-7H2,1-4H3,(H,14,20)
InChIKey OQAXXNQOTDEXJT-UHFFFAOYSA-N
Molecular Weight 300.373 g/mol
SMILES Sc1nc(c([n]1CC(C)C)C(=O)OCC)C(=O)OCC
SPLASH splash10-006w-3921000000-72016d6acbebc7f0a52b
Source of Spectrum AD-0-2532-0
Synonyms 1-isobutyl-2-thioxo-4-imidazoline-4,5-dicarboxylic acid diethyl ester 3-(2-Methylpropyl)-2-sulfanylidene-1H-imidazole-4,5-dicarboxylic acid diethyl ester Diethyl 3-(2-methylpropyl)-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate Diethyl 3-isobutyl-2-thioxo-1H-imidazole-4,5-dicarboxylate Imidazole-4,5-dicarboxylic acid, 2-mercaptho-1-(2-methylpropyl)-, diethyl ester
Wiley ID 1431565