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3-[[5-(4-chlorophenyl)-4-thiadiazolyl]thio]propanoic acid ethyl ester
SpectraBase Compound ID AxeGyy6wfDF
InChI InChI=1S/C13H13ClN2O2S2/c1-2-18-11(17)7-8-19-13-12(20-16-15-13)9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3
InChIKey XOYQUVKQMWKTBS-UHFFFAOYSA-N
Mol Weight 328.83 g/mol
Molecular Formula C13H13ClN2O2S2
Exact Mass 328.010698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfYexoLEfyO
Name 3-[[5-(4-chlorophenyl)-4-thiadiazolyl]thio]propanoic acid ethyl ester
Alternate Name(s) 3-[[5-(4-chlorophenyl)thiadiazol-4-yl]thio]propionic acid ethyl ester Ethyl 3-[5-(4-chlorophenyl)thiadiazol-4-yl]sulfanylpropanoate
CAS Registry Number 114393-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClN2O2S2
InChI InChI=1S/C13H13ClN2O2S2/c1-2-18-11(17)7-8-19-13-12(20-16-15-13)9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3
InChIKey XOYQUVKQMWKTBS-UHFFFAOYSA-N
Molecular Weight 328.832 g/mol
SMILES c1(c(nns1)SCCC(=O)OCC)-c1ccc(cc1)Cl
SPLASH splash10-0a4i-0943000000-cbf6497ae4289825adc3
Source of Spectrum Y-25-1881-2
Wiley ID 1325899