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(4R,5R)-4,5-Dicyano-1-methyl-4,5-bis-trifluoromethyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester
SpectraBase Compound ID 8VqYKUsKrc6
InChI InChI=1S/C10H6F6N4O2/c1-20-8(4-18,10(14,15)16)7(3-17,9(11,12)13)5(19-20)6(21)22-2/h1-2H3/t7-,8-/m0/s1
InChIKey USBTVDICYYVTHX-YUMQZZPRSA-N
Mol Weight 328.17 g/mol
Molecular Formula C10H6F6N4O2
Exact Mass 328.039494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WprxNczc4c
Name (4R,5R)-4,5-Dicyano-1-methyl-4,5-bis-trifluoromethyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6F6N4O2
InChI InChI=1S/C10H6F6N4O2/c1-20-8(4-18,10(14,15)16)7(3-17,9(11,12)13)5(19-20)6(21)22-2/h1-2H3/t7-,8-/m0/s1
InChIKey USBTVDICYYVTHX-YUMQZZPRSA-N
Molecular Weight 328.174 g/mol
SMILES [C@]1(C(=NN([C@@]1(C(F)(F)F)C#N)C)C(=O)OC)(C(F)(F)F)C#N
SPLASH splash10-0a4i-5292000000-d3873337ab0f10545331
Source of Spectrum H-90-15-0
Synonyms Methyl (4R,5R)-4,5-dicyano-1-methyl-4,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Methyl (trans)-4,5-dicyano-4,5-bis(trifluoromethyl)-1-methyl-4,5-dihydro-1H-pyrazole-3-carboxylate
Wiley ID 1590618