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3-Aceto-5-[(1-ethoxycarbonyl-2,2,2-trifluoroethylamino)methyl]-4,5-dihydro-1H-pyrazole-5-carboxylicacid ethyl ester
SpectraBase Compound ID LmymnGBRWSU
InChI InChI=1S/C14H20F3N3O5/c1-4-24-11(22)10(14(15,16)17)18-7-13(12(23)25-5-2)6-9(8(3)21)19-20-13/h10,18,20H,4-7H2,1-3H3
InChIKey NMJZGVUTMDTUDK-UHFFFAOYSA-N
Mol Weight 367.33 g/mol
Molecular Formula C14H20F3N3O5
Exact Mass 367.135505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dTzC1RCcjh
Name 3-Aceto-5-[(1-ethoxycarbonyl-2,2,2-trifluoroethylamino)methyl]-4,5-dihydro-1H-pyrazole-5-carboxylicacid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20F3N3O5
InChI InChI=1S/C14H20F3N3O5/c1-4-24-11(22)10(14(15,16)17)18-7-13(12(23)25-5-2)6-9(8(3)21)19-20-13/h10,18,20H,4-7H2,1-3H3
InChIKey NMJZGVUTMDTUDK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200890339
Molecular Weight 367.325 g/mol
SMILES N1N=C(CC1(CNC(C(F)(F)F)C(=O)OCC)C(=O)OCC)C(=O)C
SPLASH splash10-000l-4900000000-291b1a8093788baebed1
Source of Spectrum CJC-26-1891-4bfb
Synonyms Ethyl 3-acetyl-5-(((3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl)amino)methyl)-4,5-dihydro-1H-pyrazole-5-carboxylate
Wiley ID 1772138