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2-([2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl)-1,3-benzothiazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-([2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl)-1,3-benzothiazole
SpectraBase Compound ID 30Q6pzVodq
InChI InChI=1S/C14H7F3N2O2S2/c15-14(16,17)8-5-6-12(10(7-8)19(20)21)23-13-18-9-3-1-2-4-11(9)22-13/h1-7H
InChIKey SEGPVSGEMQVJSQ-UHFFFAOYSA-N
Mol Weight 356.34 g/mol
Molecular Formula C14H7F3N2O2S2
Exact Mass 355.990104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Jg9rEDSzyT
Name 2-([2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl)-1,3-benzothiazole
CAS Registry Number 131182-91-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H7F3N2O2S2
InChI InChI=1S/C14H7F3N2O2S2/c15-14(16,17)8-5-6-12(10(7-8)19(20)21)23-13-18-9-3-1-2-4-11(9)22-13/h1-7H
InChIKey SEGPVSGEMQVJSQ-UHFFFAOYSA-N
Molecular Weight 356.337 g/mol
SMILES c1(nc2ccccc2s1)Sc1c(N(=O)=O)cc(C(F)(F)F)cc1
SPLASH splash10-08fr-5987000000-51a85bdd4daccaba52d8
Synonyms 2-(2-Nitro-4-trifluoromethyl-phenylsulfanyl)-benzothiazole 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,3-benzothiazole
Wiley ID 1462137