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Methyl .alpha.-hydroxy-5-phenyl-.alpha.-(trifluoromethyl)-1H-pyrazole-3-propanoate
SpectraBase Compound ID 4q8IbkfYZAT
InChI InChI=1S/C14H13F3N2O3/c1-22-12(20)13(21,14(15,16)17)8-10-7-11(19-18-10)9-5-3-2-4-6-9/h2-7,21H,8H2,1H3,(H,18,19)
InChIKey ZWEKLRAGCWIUHZ-UHFFFAOYSA-N
Mol Weight 314.26 g/mol
Molecular Formula C14H13F3N2O3
Exact Mass 314.087827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FZSWKLn1gw
Name Methyl .alpha.-hydroxy-5-phenyl-.alpha.-(trifluoromethyl)-1H-pyrazole-3-propanoate
Alternate Name(s) Methyl 3,3,3-trifluoro-2-hydroxy-2-[(5-phenyl-1H-pyrazol-3-yl)methyl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13F3N2O3
InChI InChI=1S/C14H13F3N2O3/c1-22-12(20)13(21,14(15,16)17)8-10-7-11(19-18-10)9-5-3-2-4-6-9/h2-7,21H,8H2,1H3,(H,18,19)
InChIKey ZWEKLRAGCWIUHZ-UHFFFAOYSA-N
Molecular Weight 314.264 g/mol
SMILES [nH]1c(cc(CC(C(=O)OC)(C(F)(F)F)O)n1)-c1ccccc1
SPLASH splash10-0a4i-0934000000-038d040c654518d17f26
Source of Spectrum HE-2005-1911-11
Wiley ID 1613771