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1H-Pyrazole-1-butanoic acid, 3-[(4-fluorobenzoyl)amino]-5-methyl-, methyl ester
SpectraBase Compound ID DWPm1lJhKLG
InChI InChI=1S/C16H18FN3O3/c1-11-10-14(19-20(11)9-3-4-15(21)23-2)18-16(22)12-5-7-13(17)8-6-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,22)
InChIKey NAXUEEIPGKSSJK-UHFFFAOYSA-N
Mol Weight 319.34 g/mol
Molecular Formula C16H18FN3O3
Exact Mass 319.13322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CR5KAPI2FgE
Name 1H-Pyrazole-1-butanoic acid, 3-[(4-fluorobenzoyl)amino]-5-methyl-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18FN3O3
InChI InChI=1S/C16H18FN3O3/c1-11-10-14(19-20(11)9-3-4-15(21)23-2)18-16(22)12-5-7-13(17)8-6-12/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,22)
InChIKey NAXUEEIPGKSSJK-UHFFFAOYSA-N
Molecular Weight 319.336 g/mol
SMILES N(C(=O)c1ccc(cc1)F)c1cc([n](n1)CCCC(OC)=O)C
SPLASH splash10-00e9-9881000000-2d767a72c68f1f9a79a5
Source of Spectrum IY-2-4761-9
Synonyms 4-[3-[[(4-fluorophenyl)-oxomethyl]amino]-5-methyl-1-pyrazolyl]butanoic acid methyl ester Methyl 4-[3-[(4-fluorobenzoyl)amino]-5-methylpyrazol-1-yl]butanoate Methyl 4-[3-[(4-fluorobenzoyl)amino]-5-methyl-pyrazol-1-yl]butanoate Methyl 4-[3-[(4-fluorophenyl)carbonylamino]-5-methyl-pyrazol-1-yl]butanoate
Wiley ID 1655602