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1-(2-Methoxyethyl)-5-methyl-1H-pyrazole-3,4-dicarboxylic acid
SpectraBase Compound ID EmH6T3P7s37
InChI InChI=1S/C9H12N2O5/c1-5-6(8(12)13)7(9(14)15)10-11(5)3-4-16-2/h3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKey BOGCTUCZHMGIMG-UHFFFAOYSA-N
Mol Weight 228.2 g/mol
Molecular Formula C9H12N2O5
Exact Mass 228.074621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uky8vUqkNj
Name 1-(2-Methoxyethyl)-5-methyl-1H-pyrazole-3,4-dicarboxylic acid
Alternate Name(s) 1-(2-Methoxyethyl)-5-methyl-pyrazole-3,4-dicarboxylic acid
CAS Registry Number 82581-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O5
InChI InChI=1S/C9H12N2O5/c1-5-6(8(12)13)7(9(14)15)10-11(5)3-4-16-2/h3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKey BOGCTUCZHMGIMG-UHFFFAOYSA-N
Molecular Weight 228.204 g/mol
SMILES OC(c1n[n](c(c1C(O)=O)C)CCOC)=O
SPLASH splash10-0a5d-9410000000-091d1a883c77bea44bd6
Source of Spectrum W5-1989-35592-29944
Wiley ID 1229138