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4-Thiazolidinecarboxylic acid, 3-(2,4-dinitrophenyl)-, methyl ester
SpectraBase Compound ID IoTE8dCrFzf
InChI InChI=1S/C11H11N3O6S/c1-20-11(15)10-5-21-6-12(10)8-3-2-7(13(16)17)4-9(8)14(18)19/h2-4,10H,5-6H2,1H3
InChIKey JHBXYAFQTHKOEJ-UHFFFAOYSA-N
Mol Weight 313.28 g/mol
Molecular Formula C11H11N3O6S
Exact Mass 313.036856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjBiq9F4W5J
Name 4-Thiazolidinecarboxylic acid, 3-(2,4-dinitrophenyl)-, methyl ester
Alternate Name(s) 3-(2,4-dinitrophenyl)-4-thiazolidinecarboxylic acid methyl ester 3-(2,4-dinitrophenyl)thiazolidine-4-carboxylic acid methyl ester methyl 3-(2,4-dinitrophenyl)-1,3-thiazolidine-4-carboxylate methyl 3-(2,4-dinitrophenyl)thiazolidine-4-carboxylate
CAS Registry Number 89860-82-2
Comments Less than 3 mono-isotopic peaks
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Formula C11H11N3O6S
InChI InChI=1S/C11H11N3O6S/c1-20-11(15)10-5-21-6-12(10)8-3-2-7(13(16)17)4-9(8)14(18)19/h2-4,10H,5-6H2,1H3
InChIKey JHBXYAFQTHKOEJ-UHFFFAOYSA-N
Molecular Weight 313.284 g/mol
SMILES c1(N(=O)=O)c(N2C(C(=O)OC)CSC2)ccc(N(=O)=O)c1
SPLASH splash10-0udi-0091000000-98c8cd8dc3622c8254bd
Source of Spectrum Y-20-1515-0
Wiley ID 1314024