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Thioacetic acid, S-[5-(3-thiocyanatophenyl)-[1,3,4]oxadiazol-2-yl] ester
SpectraBase Compound ID 8qKqUnCUB1a
InChI InChI=1S/C11H7N3O2S2/c1-7(15)18-11-14-13-10(16-11)8-3-2-4-9(5-8)17-6-12/h2-5H,1H3
InChIKey PUGJZFZZKCPIPL-UHFFFAOYSA-N
Mol Weight 277.32 g/mol
Molecular Formula C11H7N3O2S2
Exact Mass 276.997969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1TYiZFzu1w
Name Thioacetic acid, S-[5-(3-thiocyanatophenyl)-[1,3,4]oxadiazol-2-yl] ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7N3O2S2
InChI InChI=1S/C11H7N3O2S2/c1-7(15)18-11-14-13-10(16-11)8-3-2-4-9(5-8)17-6-12/h2-5H,1H3
InChIKey PUGJZFZZKCPIPL-UHFFFAOYSA-N
Molecular Weight 277.316 g/mol
SMILES c1(oc(-c2cc(SC#N)ccc2)nn1)SC(=O)C
SPLASH splash10-01rl-7940000000-01725d93e93424548f42
Synonyms S-(5-[3-(Cyanosulfanyl)phenyl]-1,3,4-oxadiazol-2-yl) ethanethioate S-[5-(3-thiocyanatophenyl)-1,3,4-oxadiazol-2-yl] ethanethioate
Wiley ID 1456119