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1-(Cyanoacetyl)-5-hydroxy-3-ethyl-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1-(Cyanoacetyl)-5-hydroxy-3-ethyl-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 92Q1rEUsJEp
InChI InChI=1S/C9H10Cl3N3O2/c1-2-6-5-8(17,9(10,11)12)15(14-6)7(16)3-4-13/h17H,2-3,5H2,1H3
InChIKey UOSMCTNMIDCFAC-UHFFFAOYSA-N
Mol Weight 298.56 g/mol
Molecular Formula C9H10Cl3N3O2
Exact Mass 296.98386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92XPwQGx8y1
Name 1-(Cyanoacetyl)-5-hydroxy-3-ethyl-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10Cl3N3O2
InChI InChI=1S/C9H10Cl3N3O2/c1-2-6-5-8(17,9(10,11)12)15(14-6)7(16)3-4-13/h17H,2-3,5H2,1H3
InChIKey UOSMCTNMIDCFAC-UHFFFAOYSA-N
Molecular Weight 298.557 g/mol
SMILES OC1(N(N=C(C1)CC)C(CC#N)=O)C(Cl)(Cl)Cl
SPLASH splash10-03di-7900000000-0d4537a3894c1b0d5048
Source of Spectrum AH-139-1053-6c
Wiley ID 1695752