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4-(1,2,3-Thiadiazol-4-yl)phenyl 3,5-bis(trifluoromethyl)benzoate
SpectraBase Compound ID CauqfFujiZ3
InChI InChI=1S/C17H8F6N2O2S/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15(26)27-13-3-1-9(2-4-13)14-8-28-25-24-14/h1-8H
InChIKey ZZJHIEKVPARUEL-UHFFFAOYSA-N
Mol Weight 418.31 g/mol
Molecular Formula C17H8F6N2O2S
Exact Mass 418.021068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJNyoQSlYHT
Name 4-(1,2,3-Thiadiazol-4-yl)phenyl 3,5-bis(trifluoromethyl)benzoate
CAS Registry Number 253774-68-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H8F6N2O2S
InChI InChI=1S/C17H8F6N2O2S/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15(26)27-13-3-1-9(2-4-13)14-8-28-25-24-14/h1-8H
InChIKey ZZJHIEKVPARUEL-UHFFFAOYSA-N
Molecular Weight 418.313 g/mol
SMILES c1c(OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=O)ccc(-c2nnsc2)c1
SPLASH splash10-0006-2292000000-ebcd1c7a5789228a8238
Source of Spectrum AD-0-2532-0
Synonyms Benzoic acid, 3,5-di(trifluoromethyl)-, 4-(1,2,3-thiadiazol-4yl)phenyl ester 3,5-bis(trifluoromethyl)benzoic acid [4-(4-thiadiazolyl)phenyl] ester [4-(thiadiazol-4-yl)phenyl] 3,5-bis(trifluoromethyl)benzoate [4-(1,2,3-thiadiazol-4-yl)phenyl] 3,5-bis(trifluoromethyl)benzoate
Wiley ID 1427500