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3-(4-Methylphenyl)-5-(methylthio)triazolidine-1,2-dicarboxylic acid dipropan-2-yl ester
SpectraBase Compound ID K4Yu3ElTFjq
InChI InChI=1S/C18H27N3O4S/c1-12(2)24-17(22)20-16(26-6)11-19(15-9-7-14(5)8-10-15)21(20)18(23)25-13(3)4/h7-10,12-13,16H,11H2,1-6H3
InChIKey LZRQOSIIGANPJH-UHFFFAOYSA-N
Mol Weight 381.49 g/mol
Molecular Formula C18H27N3O4S
Exact Mass 381.172228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aQpRdSKfpW
Name 3-(4-Methylphenyl)-5-(methylthio)triazolidine-1,2-dicarboxylic acid dipropan-2-yl ester
Alternate Name(s) 5-(methylthio)-3-(p-tolyl)triazolidine-1,2-dicarboxylic acid diisopropyl ester diisopropyl 5-methylsulfanyl-3-(p-tolyl)triazolidine-1,2-dicarboxylate dipropan-2-yl 3-(4-methylphenyl)-5-methylsulfanyl-1,2,3-triazolidine-1,2-dicarboxylate dipropan-2-yl 3-(4-methylphenyl)-5-methylsulfanyltriazolidine-1,2-dicarboxylate
CAS Registry Number 87474-55-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27N3O4S
InChI InChI=1S/C18H27N3O4S/c1-12(2)24-17(22)20-16(26-6)11-19(15-9-7-14(5)8-10-15)21(20)18(23)25-13(3)4/h7-10,12-13,16H,11H2,1-6H3
InChIKey LZRQOSIIGANPJH-UHFFFAOYSA-N
Molecular Weight 381.491 g/mol
SMILES C(N1N(N(CC1SC)c1ccc(cc1)C)C(OC(C)C)=O)(OC(C)C)=O
SPLASH splash10-0k96-4900000000-1e754921654e86089441
Source of Spectrum H-66-1616-0
Wiley ID 1360119