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1H-Pyrazole-1-butanoic acid, 4-[(1,3-benzodioxol-5-ylcarbonyl)amino]-3,5-dimethyl-, methyl ester
SpectraBase Compound ID IHZOFSs1EXX
InChI InChI=1S/C18H21N3O5/c1-11-17(12(2)21(20-11)8-4-5-16(22)24-3)19-18(23)13-6-7-14-15(9-13)26-10-25-14/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,23)
InChIKey IBMMFOCXNDNZQS-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 Isoo5qW4kkg
Name 1H-Pyrazole-1-butanoic acid, 4-[(1,3-benzodioxol-5-ylcarbonyl)amino]-3,5-dimethyl-, methyl ester
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Formula C18H21N3O5
InChI InChI=1S/C18H21N3O5/c1-11-17(12(2)21(20-11)8-4-5-16(22)24-3)19-18(23)13-6-7-14-15(9-13)26-10-25-14/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,23)
InChIKey IBMMFOCXNDNZQS-UHFFFAOYSA-N
Molecular Weight 359.382 g/mol
SMILES N(c1c([n](CCCC(=O)OC)nc1C)C)C(c1cc2c(OCO2)cc1)=O
SPLASH splash10-0002-4900000000-e1a9924c5d61adc1773c
Source of Spectrum IY-2-4977-5
Synonyms Methyl 4-[4-(2H-1,3-benzodioxole-5-amido)-3,5-dimethyl-1H-pyrazol-1-yl]butanoate 4-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3,5-dimethyl-1-pyrazolyl]butanoic acid methyl ester Methyl 4-[4-(1,3-benzodioxole-5-carbonylamino)-3,5-dimethylpyrazol-1-yl]butanoate Methyl 4-[4-(1,3-benzodioxole-5-carbonylamino)-3,5-dimethyl-pyrazol-1-yl]butanoate Methyl 4-[4-(1,3-benzodioxol-5-ylcarbonylamino)-3,5-dimethyl-pyrazol-1-yl]butanoate
Wiley ID 1657758