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3-[(5-benzylthiadiazol-4-yl)thio]propionic acid methyl ester
SpectraBase Compound ID Gm60dYAWK7I
InChI InChI=1S/C13H14N2O2S2/c1-17-12(16)7-8-18-13-11(19-15-14-13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey QCEJQEFBXLECPF-UHFFFAOYSA-N
Mol Weight 294.39 g/mol
Molecular Formula C13H14N2O2S2
Exact Mass 294.04967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lYkIhqDAIj
Name 3-[(5-benzylthiadiazol-4-yl)thio]propionic acid methyl ester
CAS Registry Number 114393-50-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2S2
InChI InChI=1S/C13H14N2O2S2/c1-17-12(16)7-8-18-13-11(19-15-14-13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey QCEJQEFBXLECPF-UHFFFAOYSA-N
Molecular Weight 294.387 g/mol
SMILES c1(c(nns1)SCCC(=O)OC)Cc1ccccc1
SPLASH splash10-000l-0930000000-42b53d83b3e990a322ec
Source of Spectrum Y-25-1881-2
Synonyms 3-[[5-(phenylmethyl)-4-thiadiazolyl]thio]propanoic acid methyl ester Methyl 3-(5-benzylthiadiazol-4-yl)sulfanylpropanoate Methyl 3-[[5-(phenylmethyl)-1,2,3-thiadiazol-4-yl]sulfanyl]propanoate
Wiley ID 1296809