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5-[(1-Ethoxycarbonyl-2,2,2-trifluoroethylamino)-methyl]-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid 5-ethyl ester 3-methyl ester

View entire compound with spectra: 1 MS (GC)

5-[(1-Ethoxycarbonyl-2,2,2-trifluoroethylamino)-methyl]-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid 5-ethyl ester 3-methyl ester
SpectraBase Compound ID LFBzxXrcDkO
InChI InChI=1S/C14H20F3N3O6/c1-4-25-11(22)9(14(15,16)17)18-7-13(12(23)26-5-2)6-8(19-20-13)10(21)24-3/h9,18,20H,4-7H2,1-3H3
InChIKey SBAOYFKCLWBDNT-UHFFFAOYSA-N
Mol Weight 383.32 g/mol
Molecular Formula C14H20F3N3O6
Exact Mass 383.13042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MCREjs6fXl
Name 5-[(1-Ethoxycarbonyl-2,2,2-trifluoroethylamino)-methyl]-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid 5-ethyl ester 3-methyl ester
Alternate Name(s) 5-Ethyl 3-methyl 5-(((3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl)amino)methyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20F3N3O6
InChI InChI=1S/C14H20F3N3O6/c1-4-25-11(22)9(14(15,16)17)18-7-13(12(23)26-5-2)6-8(19-20-13)10(21)24-3/h9,18,20H,4-7H2,1-3H3
InChIKey SBAOYFKCLWBDNT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200890339
Molecular Weight 383.324 g/mol
SMILES N1N=C(CC1(CNC(C(F)(F)F)C(=O)OCC)C(=O)OCC)C(=O)OC
SPLASH splash10-0bt9-1900000000-eecdb624d4f20f23d463
Source of Spectrum CJC-26-1891-4bfa
Wiley ID 1772137