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3-(3-Trifluoromethylphenyl)-5-cyanomethyl-1,2,4-thiadiazole
SpectraBase Compound ID AmXvmLEkN9Y
InChI InChI=1S/C11H6F3N3S/c12-11(13,14)8-3-1-2-7(6-8)10-16-9(4-5-15)18-17-10/h1-3,6H,4H2
InChIKey BHAJCHPSIROXRM-UHFFFAOYSA-N
Mol Weight 269.25 g/mol
Molecular Formula C11H6F3N3S
Exact Mass 269.023453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YfActb03jU
Name 3-(3-Trifluoromethylphenyl)-5-cyanomethyl-1,2,4-thiadiazole
CAS Registry Number 57459-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6F3N3S
InChI InChI=1S/C11H6F3N3S/c12-11(13,14)8-3-1-2-7(6-8)10-16-9(4-5-15)18-17-10/h1-3,6H,4H2
InChIKey BHAJCHPSIROXRM-UHFFFAOYSA-N
Molecular Weight 269.245 g/mol
SMILES c1(nc(sn1)CC#N)-c1cc(C(F)(F)F)ccc1
SPLASH splash10-0vi0-0090000000-415073ccbf0cdcd3a180
Source of Spectrum J-41-624-0
Synonyms {3-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl}acetonitrile
Wiley ID 1272972