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3-Acetyl-5-[1-(ethoxycarbonyl-2,2,3,3-tetrafluoropropylamino)methyl]-4,5-dihydro-1H-pyrazole-5-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

3-Acetyl-5-[1-(ethoxycarbonyl-2,2,3,3-tetrafluoropropylamino)methyl]-4,5-dihydro-1H-pyrazole-5-carboxylic acid ethyl ester
SpectraBase Compound ID D4MGl6yDQlX
InChI InChI=1S/C15H21F4N3O5/c1-4-26-12(24)14(6-10(9(3)23)20-21-14)7-22(13(25)27-5-2)8-15(18,19)11(16)17/h11,21H,4-8H2,1-3H3
InChIKey ZMCWRACWXIJKDE-UHFFFAOYSA-N
Mol Weight 399.34 g/mol
Molecular Formula C15H21F4N3O5
Exact Mass 399.141733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wKL4E8qA6F
Name 3-Acetyl-5-[1-(ethoxycarbonyl-2,2,3,3-tetrafluoropropylamino)methyl]-4,5-dihydro-1H-pyrazole-5-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 3-acetyl-5-(((ethoxycarbonyl)(2,2,3,3-tetrafluoropropyl)amino)methyl)-4,5-dihydro-1H-pyrazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21F4N3O5
InChI InChI=1S/C15H21F4N3O5/c1-4-26-12(24)14(6-10(9(3)23)20-21-14)7-22(13(25)27-5-2)8-15(18,19)11(16)17/h11,21H,4-8H2,1-3H3
InChIKey ZMCWRACWXIJKDE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200890339
Molecular Weight 399.343 g/mol
SMILES N1C(CC(=N1)C(C)=O)(C(=O)OCC)CN(CC(C(F)F)(F)F)C(=O)OCC
SPLASH splash10-000f-9400000000-88f61e485b841f346ffc
Source of Spectrum CJC-26-1891-4afb
Wiley ID 1772134