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1-(Cyanoacetyl)-5-hydroxy-5-(trifluoromethyl)-3-(tetramethylene)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID DgTRuZGsUpA
InChI InChI=1S/C11H12F3N3O2/c1-2-3-4-8-7-10(19,11(12,13)14)17(16-8)9(18)5-6-15/h2,19H,1,3-5,7H2
InChIKey HKBUXDVCKYSPFS-UHFFFAOYSA-N
Mol Weight 275.23 g/mol
Molecular Formula C11H12F3N3O2
Exact Mass 275.088161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFbpZv4csYq
Name 1-(Cyanoacetyl)-5-hydroxy-5-(trifluoromethyl)-3-(tetramethylene)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12F3N3O2
InChI InChI=1S/C11H12F3N3O2/c1-2-3-4-8-7-10(19,11(12,13)14)17(16-8)9(18)5-6-15/h2,19H,1,3-5,7H2
InChIKey HKBUXDVCKYSPFS-UHFFFAOYSA-N
Molecular Weight 275.231 g/mol
SMILES OC1(N(N=C(C1)CCC=C)C(CC#N)=O)C(F)(F)F
SPLASH splash10-052r-4980000000-1969b0986d278f346135
Source of Spectrum D9-19-1366-5f
Synonyms 3,3a,4,5,6,7-Hexahydro-5-(trifluoromethyl)-5-hydroxybenzocyanoacetyl[2,1]pyrazole
Wiley ID 1695350