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1H-Pyrazole-1-butanoic acid, 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-methyl-, methyl ester
SpectraBase Compound ID HwUmO4R1RVk
InChI InChI=1S/C17H19N3O5/c1-11-8-15(19-20(11)7-3-4-16(21)23-2)18-17(22)12-5-6-13-14(9-12)25-10-24-13/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,19,22)
InChIKey CYIOZIWBEXWPEU-UHFFFAOYSA-N
Mol Weight 345.36 g/mol
Molecular Formula C17H19N3O5
Exact Mass 345.132471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Zc2DfWdxKy
Name 1H-Pyrazole-1-butanoic acid, 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-methyl-, methyl ester
Alternate Name(s) 4-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-methyl-1-pyrazolyl]butanoic acid methyl ester Methyl 4-[3-(1,3-benzodioxole-5-carbonylamino)-5-methylpyrazol-1-yl]butanoate Methyl 4-[3-(1,3-benzodioxole-5-carbonylamino)-5-methyl-pyrazol-1-yl]butanoate Methyl 4-[3-(1,3-benzodioxol-5-ylcarbonylamino)-5-methyl-pyrazol-1-yl]butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N3O5
InChI InChI=1S/C17H19N3O5/c1-11-8-15(19-20(11)7-3-4-16(21)23-2)18-17(22)12-5-6-13-14(9-12)25-10-24-13/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,19,22)
InChIKey CYIOZIWBEXWPEU-UHFFFAOYSA-N
Molecular Weight 345.355 g/mol
SMILES N(C(=O)c1cc2c(cc1)OCO2)c1cc([n](n1)CCCC(OC)=O)C
SPLASH splash10-0002-7921000000-966dad66781a5ba23f84
Source of Spectrum IY-2-4762-1
Wiley ID 1655604