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(4R,5S)-5-(2-keto-2-methoxy-ethyl)-1-methyl-2-pyrazoline-3,4,5-tricarboxylic acid trimethyl ester
SpectraBase Compound ID 6hn734GX0z5
InChI InChI=1S/C13H18N2O8/c1-15-13(12(19)23-5,6-7(16)20-2)8(10(17)21-3)9(14-15)11(18)22-4/h8H,6H2,1-5H3/t8-,13+/m1/s1
InChIKey CMGAWVNCYYGOLB-OQPBUACISA-N
Mol Weight 330.29 g/mol
Molecular Formula C13H18N2O8
Exact Mass 330.106316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQHDivNd3P8
Name (4R,5S)-5-(2-keto-2-methoxy-ethyl)-1-methyl-2-pyrazoline-3,4,5-tricarboxylic acid trimethyl ester
Alternate Name(s) (4R,5S)-5-(2-methoxy-2-oxoethyl)-1-methyl-4H-pyrazole-3,4,5-tricarboxylic acid trimethyl ester Trimethyl (4R,5S)-5-(2-methoxy-2-oxidanylidene-ethyl)-1-methyl-4H-pyrazole-3,4,5-tricarboxylate Trimethyl (4R,5S)-5-(2-methoxy-2-oxo-ethyl)-1-methyl-4H-pyrazole-3,4,5-tricarboxylate
CAS Registry Number 70910-15-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O8
InChI InChI=1S/C13H18N2O8/c1-15-13(12(19)23-5,6-7(16)20-2)8(10(17)21-3)9(14-15)11(18)22-4/h8H,6H2,1-5H3/t8-,13+/m1/s1
InChIKey CMGAWVNCYYGOLB-OQPBUACISA-N
Molecular Weight 330.293 g/mol
SMILES [C@]1([C@](C(C(=O)OC)=NN1C)(C(=O)OC)[H])(CC(=O)OC)C(=O)OC
SPLASH splash10-0a4r-0090000000-df3e18a0d5b11c140241
Source of Spectrum K-112-1727-0
Wiley ID 1327463