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Benzoic acid, 4-[[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino]-, ethyl ester
SpectraBase Compound ID J2yOsBXFAiu
InChI InChI=1S/C16H18ClN3O3/c1-4-23-16(22)12-5-7-13(8-6-12)18-14(21)9-20-11(3)15(17)10(2)19-20/h5-8H,4,9H2,1-3H3,(H,18,21)
InChIKey QAAYWEPNRJWVSI-UHFFFAOYSA-N
Mol Weight 335.79 g/mol
Molecular Formula C16H18ClN3O3
Exact Mass 335.103669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dg5MnkFYMW4
Name Benzoic acid, 4-[[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18ClN3O3
InChI InChI=1S/C16H18ClN3O3/c1-4-23-16(22)12-5-7-13(8-6-12)18-14(21)9-20-11(3)15(17)10(2)19-20/h5-8H,4,9H2,1-3H3,(H,18,21)
InChIKey QAAYWEPNRJWVSI-UHFFFAOYSA-N
Molecular Weight 335.791 g/mol
SMILES N(C(=O)C[n]1nc(c(c1C)Cl)C)c1ccc(cc1)C(OCC)=O
SPLASH splash10-0006-3902000000-8121a797057047aef055
Source of Spectrum IY-2-4743-2
Synonyms 4-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid ethyl ester Ethyl 4-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoate Ethyl 4-[[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]benzoate Ethyl 4-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]benzoate
Wiley ID 1655415