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2-(5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,3,4-oxadiazol-2-ylthio)acetic acid
SpectraBase Compound ID IUnqLyuORIh
InChI InChI=1S/C13H11N5O3S/c1-8-11(12-15-16-13(21-12)22-7-10(19)20)14-17-18(8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,19,20)
InChIKey PQOZMVALIRJWCF-UHFFFAOYSA-N
Mol Weight 317.32 g/mol
Molecular Formula C13H11N5O3S
Exact Mass 317.05826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmjhFCTHG42
Name 2-(5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,3,4-oxadiazol-2-ylthio)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N5O3S
InChI InChI=1S/C13H11N5O3S/c1-8-11(12-15-16-13(21-12)22-7-10(19)20)14-17-18(8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,19,20)
InChIKey PQOZMVALIRJWCF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200200057
Molecular Weight 317.323 g/mol
SMILES OC(CSc1nnc(o1)-c1c([n](nn1)-c1ccccc1)C)=O
SPLASH splash10-066r-2903000000-35d6477ffecf5c30a875
Source of Spectrum QA-49-371-5a
Synonyms 2-((5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetic acid
Wiley ID 1795611