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4-[5-(4-Trifluoromethylphenyl)-1,3,4-thiadiazol-2-yl] benzene-1,3-diol
SpectraBase Compound ID GIq7LMwzMWv
InChI InChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-8(2-4-9)13-19-20-14(23-13)11-6-5-10(21)7-12(11)22/h1-7,21-22H
InChIKey PBCQAAJDSLTJNM-UHFFFAOYSA-N
Mol Weight 338.3 g/mol
Molecular Formula C15H9F3N2O2S
Exact Mass 338.033683 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67gGqIPSHKE
Name 4-[5-(4-Trifluoromethylphenyl)-1,3,4-thiadiazol-2-yl] benzene-1,3-diol
Alternate Name(s) 4-(5-(4-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)benzene-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9F3N2O2S
InChI InChI=1S/C15H9F3N2O2S/c16-15(17,18)9-3-1-8(2-4-9)13-19-20-14(23-13)11-6-5-10(21)7-12(11)22/h1-7,21-22H
InChIKey PBCQAAJDSLTJNM-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2012.12.060
Molecular Weight 338.304 g/mol
SMILES Oc1ccc(c(c1)O)-c1nnc(-c2ccc(cc2)C(F)(F)F)s1
SPLASH splash10-0019-6917000000-318ff371f7a6a5017b12
Source of Spectrum EMC-62-316-8
Wiley ID 1755158