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3-[[5-(4-methylphenyl)-4-thiadiazolyl]thio]propanoic acid ethyl ester
SpectraBase Compound ID 9H1uzM1OBw9
InChI InChI=1S/C14H16N2O2S2/c1-3-18-12(17)8-9-19-14-13(20-16-15-14)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKey AMSULSWYTPLHLG-UHFFFAOYSA-N
Mol Weight 308.41 g/mol
Molecular Formula C14H16N2O2S2
Exact Mass 308.06532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hf5Eb6XKFy7
Name 3-[[5-(4-methylphenyl)-4-thiadiazolyl]thio]propanoic acid ethyl ester
CAS Registry Number 114393-24-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O2S2
InChI InChI=1S/C14H16N2O2S2/c1-3-18-12(17)8-9-19-14-13(20-16-15-14)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKey AMSULSWYTPLHLG-UHFFFAOYSA-N
Molecular Weight 308.414 g/mol
SMILES c1(c(nns1)SCCC(=O)OCC)-c1ccc(cc1)C
SPLASH splash10-000l-0910000000-49aeae3e1d21520193f7
Source of Spectrum Y-25-1881-2
Synonyms 3-[[5-(p-tolyl)thiadiazol-4-yl]thio]propionic acid ethyl ester Ethyl 3-[5-(4-methylphenyl)thiadiazol-4-yl]sulfanylpropanoate Ethyl 3-[5-(p-tolyl)thiadiazol-4-yl]sulfanylpropanoate
Wiley ID 1309462