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3-[[5-(4-methoxyphenyl)-4-thiadiazolyl]thio]propanoic acid ethyl ester
SpectraBase Compound ID 4XW7DdhkPX5
InChI InChI=1S/C14H16N2O3S2/c1-3-19-12(17)8-9-20-14-13(21-16-15-14)10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKey NOCJPXDHCDJKQI-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 C0gXqxrBKsY
Name 3-[[5-(4-methoxyphenyl)-4-thiadiazolyl]thio]propanoic acid ethyl ester
CAS Registry Number 114393-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O3S2
InChI InChI=1S/C14H16N2O3S2/c1-3-19-12(17)8-9-20-14-13(21-16-15-14)10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKey NOCJPXDHCDJKQI-UHFFFAOYSA-N
Molecular Weight 324.413 g/mol
SMILES c1(c(nns1)SCCC(=O)OCC)-c1ccc(cc1)OC
SPLASH splash10-0zfr-0981000000-61fb9e2f08817f2e7de2
Source of Spectrum Y-25-1881-2
Synonyms 3-[[5-(4-methoxyphenyl)thiadiazol-4-yl]thio]propionic acid ethyl ester Ethyl 3-[5-(4-methoxyphenyl)thiadiazol-4-yl]sulfanylpropanoate
Wiley ID 1322877