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1,2,5-Thiadiazolidine-2,5-dicarboxylic acid, 3-ethenyl-4-[[(phenylmethyl)thio]methyl]-, dimethyl ester, cis-(.+-.)-
SpectraBase Compound ID 4dG7X4dCBEW
InChI InChI=1S/C16H20N2O4S2/c1-4-13-14(11-23-10-12-8-6-5-7-9-12)18(16(20)22-3)24-17(13)15(19)21-2/h4-9,13-14H,1,10-11H2,2-3H3/t13-,14+/m1/s1
InChIKey YIBRCLZSYCJGBP-KGLIPLIRSA-N
Mol Weight 368.47 g/mol
Molecular Formula C16H20N2O4S2
Exact Mass 368.086449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31zdQy4rHsB
Name 1,2,5-Thiadiazolidine-2,5-dicarboxylic acid, 3-ethenyl-4-[[(phenylmethyl)thio]methyl]-, dimethyl ester, cis-(.+-.)-
CAS Registry Number 112792-86-6
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O4S2
InChI InChI=1S/C16H20N2O4S2/c1-4-13-14(11-23-10-12-8-6-5-7-9-12)18(16(20)22-3)24-17(13)15(19)21-2/h4-9,13-14H,1,10-11H2,2-3H3/t13-,14+/m1/s1
InChIKey YIBRCLZSYCJGBP-KGLIPLIRSA-N
Molecular Weight 368.466 g/mol
SMILES C(N1SN([C@]([C@]1(C=C)[H])(CSCc1ccccc1)[H])C(=O)OC)(=O)OC
SPLASH splash10-000t-9000000000-062759b5096fba69dcfe
Source of Spectrum J-53-1117-10
Synonyms cis-15-methoxycarbonyl-3-ethenyl-4-benzylthio-1,2,5-thiadiazolidine dimethyl (3R,4R)-3-[(benzylsulfanyl)methyl]-4-vinyl-1,2,5-thiadiazolidine-2,5-dicarboxylate
Wiley ID 1352810