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3-[[5-(4-fluorophenyl)-4-thiadiazolyl]thio]propanoic acid ethyl ester
SpectraBase Compound ID 4uUvL2gxde8
InChI InChI=1S/C13H13FN2O2S2/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 AZCGLUNLUHDHST-UHFFFAOYSA-N
Mol Weight 312.38 g/mol
Molecular Formula C13H13FN2O2S2
Exact Mass 312.040248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXLJ6DyzBdJ
Name 3-[[5-(4-fluorophenyl)-4-thiadiazolyl]thio]propanoic acid ethyl ester
CAS Registry Number 114393-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13FN2O2S2
InChI InChI=1S/C13H13FN2O2S2/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 AZCGLUNLUHDHST-UHFFFAOYSA-N
Molecular Weight 312.377 g/mol
SMILES c1(c(nns1)SCCC(=O)OCC)-c1ccc(cc1)F
SPLASH splash10-000j-0930000000-6e868ad3579c0b7121ce
Source of Spectrum Y-25-1881-2
Synonyms 3-[[5-(4-fluorophenyl)thiadiazol-4-yl]thio]propionic acid ethyl ester Ethyl 3-[5-(4-fluorophenyl)thiadiazol-4-yl]sulfanylpropanoate
Wiley ID 1312894