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2-(1,3-Benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole-4-carbaldehyde 1,3-benzothiazol-2-ylhydrazone

View entire compound with spectra: 1 MS (GC)

2-(1,3-Benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole-4-carbaldehyde 1,3-benzothiazol-2-ylhydrazone
SpectraBase Compound ID CpVBfZiZsOJ
InChI InChI=1S/C19H11F3N6OS2/c20-19(21,22)15-10(9-23-26-17-24-11-5-1-3-7-13(11)30-17)16(29)28(27-15)18-25-12-6-2-4-8-14(12)31-18/h1-9,27H,(H,24,26)/b23-9+
InChIKey XNGGGUSMIXCGOX-NUGSKGIGSA-N
Mol Weight 460.45 g/mol
Molecular Formula C19H11F3N6OS2
Exact Mass 460.038786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tbWt1QLTok
Name 2-(1,3-Benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazole-4-carbaldehyde 1,3-benzothiazol-2-ylhydrazone
Alternate Name(s) 2-Benzothiazol-2-yl-4-(benzothiazol-2-yl-hydrazonomethyl)-5-trifluoromethyl-1,2-dihydro-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H11F3N6OS2
InChI InChI=1S/C19H11F3N6OS2/c20-19(21,22)15-10(9-23-26-17-24-11-5-1-3-7-13(11)30-17)16(29)28(27-15)18-25-12-6-2-4-8-14(12)31-18/h1-9,27H,(H,24,26)/b23-9+
InChIKey XNGGGUSMIXCGOX-NUGSKGIGSA-N
Molecular Weight 460.453 g/mol
SMILES N(c1nc2ccccc2s1)\N=C\C1=C(NN(C1=O)c1nc2ccccc2s1)C(F)(F)F
SPLASH splash10-0f6y-4911000000-9efd0553f13153e25896
Wiley ID 1455167