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1H-Pyrazole-1-butanoic acid, 3,5-dimethyl-4-[(3,4,5-trimethoxybenzoyl)amino]-, methyl ester
SpectraBase Compound ID IMDiPTWJxVn
InChI InChI=1S/C20H27N3O6/c1-12-18(13(2)23(22-12)9-7-8-17(24)28-5)21-20(25)14-10-15(26-3)19(29-6)16(11-14)27-4/h10-11H,7-9H2,1-6H3,(H,21,25)
InChIKey HCZBLPFSOXPESK-UHFFFAOYSA-N
Mol Weight 405.45 g/mol
Molecular Formula C20H27N3O6
Exact Mass 405.189986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OztRpKwn6O
Name 1H-Pyrazole-1-butanoic acid, 3,5-dimethyl-4-[(3,4,5-trimethoxybenzoyl)amino]-, methyl ester
Alternate Name(s) Methyl 4-{3,5-dimethyl-4-[(3,4,5-trimethoxybenzene)amido]-1H-pyrazol-1-yl}butanoate 4-[3,5-dimethyl-4-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-1-pyrazolyl]butanoic acid methyl ester Methyl 4-[3,5-dimethyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazol-1-yl]butanoate Methyl 4-[3,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)carbonylamino]pyrazol-1-yl]butanoate
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Formula C20H27N3O6
InChI InChI=1S/C20H27N3O6/c1-12-18(13(2)23(22-12)9-7-8-17(24)28-5)21-20(25)14-10-15(26-3)19(29-6)16(11-14)27-4/h10-11H,7-9H2,1-6H3,(H,21,25)
InChIKey HCZBLPFSOXPESK-UHFFFAOYSA-N
Molecular Weight 405.451 g/mol
SMILES N(c1c([n](CCCC(=O)OC)nc1C)C)C(c1cc(c(OC)c(c1)OC)OC)=O
SPLASH splash10-0002-3900000000-7b66c162850c37447a7a
Source of Spectrum IY-2-5006-8
Wiley ID 1658051