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3-[[5-(3,4,5-trimethoxyphenyl)-4-thiadiazolyl]thio]propanoic acid ethyl ester
SpectraBase Compound ID CdtM6e1WwMs
InChI InChI=1S/C16H20N2O5S2/c1-5-23-13(19)6-7-24-16-15(25-18-17-16)10-8-11(20-2)14(22-4)12(9-10)21-3/h8-9H,5-7H2,1-4H3
InChIKey PEVRUDPALYTRAQ-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C16H20N2O5S2
Exact Mass 384.081364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBUCN30JcXK
Name 3-[[5-(3,4,5-trimethoxyphenyl)-4-thiadiazolyl]thio]propanoic acid ethyl ester
CAS Registry Number 114414-74-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O5S2
InChI InChI=1S/C16H20N2O5S2/c1-5-23-13(19)6-7-24-16-15(25-18-17-16)10-8-11(20-2)14(22-4)12(9-10)21-3/h8-9H,5-7H2,1-4H3
InChIKey PEVRUDPALYTRAQ-UHFFFAOYSA-N
Molecular Weight 384.465 g/mol
SMILES c1(c(nns1)SCCC(=O)OCC)-c1cc(OC)c(c(c1)OC)OC
SPLASH splash10-03di-0093000000-69b7c728b11dfc052b68
Source of Spectrum Y-25-1881-2
Synonyms 3-[[5-(3,4,5-trimethoxyphenyl)thiadiazol-4-yl]thio]propionic acid ethyl ester Ethyl 3-[5-(3,4,5-trimethoxyphenyl)thiadiazol-4-yl]sulfanylpropanoate
Wiley ID 1361309