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3-[[5-(3-methoxyphenyl)-4-thiadiazolyl]thio]propanoic acid ethyl ester
SpectraBase Compound ID 7VRBa0DZy9C
InChI InChI=1S/C14H16N2O3S2/c1-3-19-12(17)7-8-20-14-13(21-16-15-14)10-5-4-6-11(9-10)18-2/h4-6,9H,3,7-8H2,1-2H3
InChIKey LKINTNVRPPMBBX-UHFFFAOYSA-N
Mol Weight 324.41 g/mol
Molecular Formula C14H16N2O3S2
Exact Mass 324.060235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AM5fCXRiDic
Name 3-[[5-(3-methoxyphenyl)-4-thiadiazolyl]thio]propanoic acid ethyl ester
CAS Registry Number 114393-45-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O3S2
InChI InChI=1S/C14H16N2O3S2/c1-3-19-12(17)7-8-20-14-13(21-16-15-14)10-5-4-6-11(9-10)18-2/h4-6,9H,3,7-8H2,1-2H3
InChIKey LKINTNVRPPMBBX-UHFFFAOYSA-N
Molecular Weight 324.413 g/mol
SMILES c1(c(nns1)SCCC(=O)OCC)-c1cc(OC)ccc1
SPLASH splash10-0zfr-0891000000-1efbcd9abbec15984acf
Source of Spectrum Y-25-1881-2
Synonyms 3-[[5-(3-methoxyphenyl)thiadiazol-4-yl]thio]propionic acid ethyl ester Ethyl 3-[5-(3-methoxyphenyl)thiadiazol-4-yl]sulfanylpropanoate
Wiley ID 1322878