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4-[[1-(2-ethoxy-2-keto-ethyl)-3,5-dimethyl-pyrazol-4-yl]carbamoyl]benzoic acid methyl ester
SpectraBase Compound ID Lu5a5WHLbgn
InChI InChI=1S/C18H21N3O5/c1-5-26-15(22)10-21-12(3)16(11(2)20-21)19-17(23)13-6-8-14(9-7-13)18(24)25-4/h6-9H,5,10H2,1-4H3,(H,19,23)
InChIKey XNEPVIYBTNWFEJ-UHFFFAOYSA-N
Mol Weight 359.38 g/mol
Molecular Formula C18H21N3O5
Exact Mass 359.148121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lWtjazKf0
Name 4-[[1-(2-ethoxy-2-keto-ethyl)-3,5-dimethyl-pyrazol-4-yl]carbamoyl]benzoic acid methyl ester
Alternate Name(s) 4-[[[1-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-4-pyrazolyl]amino]-oxomethyl]benzoic acid methyl ester Methyl 4-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-pyrazol-4-yl]carbamoyl]benzoate Methyl 4-[[1-(2-ethoxy-2-oxo-ethyl)-3,5-dimethyl-pyrazol-4-yl]carbamoyl]benzoate Terephthalamic acid, N-(1-ethoxycarbonylmethyl-3,5-dimethyl-1H-pyrazol-4-yl)-, methyl ester
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Formula C18H21N3O5
InChI InChI=1S/C18H21N3O5/c1-5-26-15(22)10-21-12(3)16(11(2)20-21)19-17(23)13-6-8-14(9-7-13)18(24)25-4/h6-9H,5,10H2,1-4H3,(H,19,23)
InChIKey XNEPVIYBTNWFEJ-UHFFFAOYSA-N
Molecular Weight 359.382 g/mol
SMILES N(c1c([n](nc1C)CC(=O)OCC)C)C(c1ccc(C(=O)OC)cc1)=O
SPLASH splash10-08fs-5901000000-09b21d8571fae89c550c
Wiley ID 1447355