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(4-{3-Methyl-4-[(4-methylphenyl)diazenyl]-5-trifluoromethyl-1H-pyrazol-1-yl}butyl)acetate
SpectraBase Compound ID BttjaYET3Oc
InChI InChI=1S/C18H21F3N4O2/c1-12-6-8-15(9-7-12)22-23-16-13(2)24-25(17(16)18(19,20)21)10-4-5-11-27-14(3)26/h6-9H,4-5,10-11H2,1-3H3/b23-22+
InChIKey FGBHMKRXRLVNRR-GHVJWSGMSA-N
Mol Weight 382.39 g/mol
Molecular Formula C18H21F3N4O2
Exact Mass 382.16166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18vHIGlLJA
Name (4-{3-Methyl-4-[(4-methylphenyl)diazenyl]-5-trifluoromethyl-1H-pyrazol-1-yl}butyl)acetate
Alternate Name(s) (E)-4-(3-methyl-4-(p-tolyldiazenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)butyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21F3N4O2
InChI InChI=1S/C18H21F3N4O2/c1-12-6-8-15(9-7-12)22-23-16-13(2)24-25(17(16)18(19,20)21)10-4-5-11-27-14(3)26/h6-9H,4-5,10-11H2,1-3H3/b23-22+
InChIKey FGBHMKRXRLVNRR-GHVJWSGMSA-N
Molecular Weight 382.387 g/mol
SMILES c1(c(c(C)n[n]1CCCCOC(=O)C)\N=N\c1ccc(cc1)C)C(F)(F)F
SPLASH splash10-000x-9177000000-7ea3bdc1f108b14d6338
Source of Spectrum HC-49-1132-2a
Wiley ID 1739529