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(2E)-2-(3-benzylthiazolidin-2-ylidene)-2-cyano-acetic acid isobutyl ester
SpectraBase Compound ID 8XN9VUeWXqs
InChI InChI=1S/C17H20N2O2S/c1-13(2)12-21-17(20)15(10-18)16-19(8-9-22-16)11-14-6-4-3-5-7-14/h3-7,13H,8-9,11-12H2,1-2H3/b16-15+
InChIKey YTQBLUKJUVNQRQ-FOCLMDBBSA-N
Mol Weight 316.42 g/mol
Molecular Formula C17H20N2O2S
Exact Mass 316.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cy9il7Eisce
Name (2E)-2-(3-benzylthiazolidin-2-ylidene)-2-cyano-acetic acid isobutyl ester
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Formula C17H20N2O2S
InChI InChI=1S/C17H20N2O2S/c1-13(2)12-21-17(20)15(10-18)16-19(8-9-22-16)11-14-6-4-3-5-7-14/h3-7,13H,8-9,11-12H2,1-2H3/b16-15+
InChIKey YTQBLUKJUVNQRQ-FOCLMDBBSA-N
Molecular Weight 316.419 g/mol
SMILES C(\C(=C/1N(Cc2ccccc2)CCS1)C#N)(OCC(C)C)=O
SPLASH splash10-014l-9076000000-9ca00fd683173e8b2a23
Source of Spectrum Y-34-1623-3
Synonyms (2E)-2-cyano-2-[3-(phenylmethyl)-2-thiazolidinylidene]acetic acid 2-methylpropyl ester 2-Methylpropyl (2E)-2-(3-benzyl-1,3-thiazolidin-2-ylidene)-2-cyanoacetate 2-Methylpropyl (2E)-2-cyano-2-[3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]ethanoate isobutyl (2E)-2-(3-benzylthiazolidin-2-ylidene)-2-cyano-acetate
Wiley ID 1316692