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Benzoic acid, 4-[[[3-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]amino]carbonyl]-, methyl ester
SpectraBase Compound ID IH0ZY6jFBRs
InChI InChI=1S/C21H21N3O3/c1-14-5-4-6-16(11-14)13-24-19(12-15(2)23-24)22-20(25)17-7-9-18(10-8-17)21(26)27-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKey KWHZFNOYHQGSOA-UHFFFAOYSA-N
Mol Weight 363.42 g/mol
Molecular Formula C21H21N3O3
Exact Mass 363.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YVDwN45PnH
Name Benzoic acid, 4-[[[3-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]amino]carbonyl]-, methyl ester
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Formula C21H21N3O3
InChI InChI=1S/C21H21N3O3/c1-14-5-4-6-16(11-14)13-24-19(12-15(2)23-24)22-20(25)17-7-9-18(10-8-17)21(26)27-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKey KWHZFNOYHQGSOA-UHFFFAOYSA-N
Molecular Weight 363.417 g/mol
SMILES N(c1[n](nc(c1)C)Cc1cc(ccc1)C)C(=O)c1ccc(cc1)C(OC)=O
SPLASH splash10-03di-2907000000-0bd0ad1476bc2a333a77
Source of Spectrum IY-1-4589-4
Synonyms 4-[[[5-methyl-2-[(3-methylphenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]benzoic acid methyl ester Methyl 4-[[5-methyl-2-(m-tolylmethyl)pyrazol-3-yl]carbamoyl]benzoate Methyl 4-[[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
Wiley ID 1653877