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5-[(2,2,2-Trifluoroethylamino)methyl]-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID JoaXpxwGBuQ
InChI InChI=1S/C10H14F3N3O4/c1-19-7(17)6-3-9(16-15-6,8(18)20-2)4-14-5-10(11,12)13/h14,16H,3-5H2,1-2H3
InChIKey MSLFSIHAQVMODU-UHFFFAOYSA-N
Mol Weight 297.23 g/mol
Molecular Formula C10H14F3N3O4
Exact Mass 297.09364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlXzQItiSvU
Name 5-[(2,2,2-Trifluoroethylamino)methyl]-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14F3N3O4
InChI InChI=1S/C10H14F3N3O4/c1-19-7(17)6-3-9(16-15-6,8(18)20-2)4-14-5-10(11,12)13/h14,16H,3-5H2,1-2H3
InChIKey MSLFSIHAQVMODU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200890339
Molecular Weight 297.234 g/mol
SMILES N1N=C(CC1(CNCC(F)(F)F)C(OC)=O)C(=O)OC
SPLASH splash10-0006-5900000000-12d13150aba1fc1f4beb
Source of Spectrum CJC-26-1890-4ba
Synonyms Dimethyl 5-(((2,2,2-trifluoroethyl)amino)methyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate
Wiley ID 1772135