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3-[(5-thiophen-2-yl-4-thiadiazolyl)thio]propanoic acid ethyl ester
SpectraBase Compound ID 6VmMTs1WAOh
InChI InChI=1S/C11H12N2O2S3/c1-2-15-9(14)5-7-17-11-10(18-13-12-11)8-4-3-6-16-8/h3-4,6H,2,5,7H2,1H3
InChIKey NJEJKFOZYVGXEF-UHFFFAOYSA-N
Mol Weight 300.41 g/mol
Molecular Formula C11H12N2O2S3
Exact Mass 300.006091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVjHgk2uP49
Name 3-[(5-thiophen-2-yl-4-thiadiazolyl)thio]propanoic acid ethyl ester
CAS Registry Number 114393-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2O2S3
InChI InChI=1S/C11H12N2O2S3/c1-2-15-9(14)5-7-17-11-10(18-13-12-11)8-4-3-6-16-8/h3-4,6H,2,5,7H2,1H3
InChIKey NJEJKFOZYVGXEF-UHFFFAOYSA-N
Molecular Weight 300.409 g/mol
SMILES c1(c(nns1)SCCC(=O)OCC)-c1sccc1
SPLASH splash10-004r-0920000000-72b8b522b4d1fe0951ef
Source of Spectrum Y-25-1881-2
Synonyms 3-[[5-(2-thienyl)thiadiazol-4-yl]thio]propionic acid ethyl ester Ethyl 3-(5-thiophen-2-ylthiadiazol-4-yl)sulfanylpropanoate Ethyl 3-[(5-thiophen-2-yl-1,2,3-thiadiazol-4-yl)sulfanyl]propanoate Ethyl 3-[5-(2-thienyl)thiadiazol-4-yl]sulfanylpropanoate
Wiley ID 1302365