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1H-Pyrazole-3,4-dicarboxylic acid, 1-[3-methoxy-1-(methoxycarbonyl)-3-oxopropyl]-, dimethyl ester
SpectraBase Compound ID LSkVpfvuD3d
InChI InChI=1S/C13H16N2O8/c1-20-9(16)5-8(12(18)22-3)15-6-7(11(17)21-2)10(14-15)13(19)23-4/h6,8H,5H2,1-4H3
InChIKey BQBJSVUQRHYWFL-UHFFFAOYSA-N
Mol Weight 328.28 g/mol
Molecular Formula C13H16N2O8
Exact Mass 328.090665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WLwrKPoKyk
Name 1H-Pyrazole-3,4-dicarboxylic acid, 1-[3-methoxy-1-(methoxycarbonyl)-3-oxopropyl]-, dimethyl ester
CAS Registry Number 79489-88-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O8
InChI InChI=1S/C13H16N2O8/c1-20-9(16)5-8(12(18)22-3)15-6-7(11(17)21-2)10(14-15)13(19)23-4/h6,8H,5H2,1-4H3
InChIKey BQBJSVUQRHYWFL-UHFFFAOYSA-N
Molecular Weight 328.277 g/mol
SMILES c1(c(c[n](n1)C(CC(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
SPLASH splash10-000j-2091000000-f3ffb6193fb8580631ce
Source of Spectrum K-114-2463-0
Synonyms Dimethyl 1-[3-methoxy-1-(methoxycarbonyl)-3-oxopropyl]-1H-pyrazole-3,4-dicarboxylate Dimethylester of 1-[1,2-bis(methoxycarbonyl)ethyl]-3,4(4,5)-pyrazoldicarboxylic acid
Wiley ID 1325908