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1-(6'-Chlorobenzothiazol-2'-yl)-5-trifluoromethyl-3-methylpyrazole
SpectraBase Compound ID HbaHoDrMPax
InChI InChI=1S/C12H7ClF3N3S/c1-6-4-10(12(14,15)16)19(18-6)11-17-8-3-2-7(13)5-9(8)20-11/h2-5H,1H3
InChIKey ZNTKSRMMRUVJRZ-UHFFFAOYSA-N
Mol Weight 317.72 g/mol
Molecular Formula C12H7ClF3N3S
Exact Mass 317.000131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaMdnJBp7a5
Name 1-(6'-Chlorobenzothiazol-2'-yl)-5-trifluoromethyl-3-methylpyrazole
Alternate Name(s) 6-Chloro-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-benzothiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7ClF3N3S
InChI InChI=1S/C12H7ClF3N3S/c1-6-4-10(12(14,15)16)19(18-6)11-17-8-3-2-7(13)5-9(8)20-11/h2-5H,1H3
InChIKey ZNTKSRMMRUVJRZ-UHFFFAOYSA-N
Molecular Weight 317.717 g/mol
SMILES c1(-[n]2c(C(F)(F)F)cc(n2)C)nc2ccc(cc2s1)Cl
SPLASH splash10-014i-0129000000-2e0056faafaa0c7a9ffa
Source of Spectrum Y1-31-236-5
Wiley ID 1525881