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1H-Pyrazole-3,4,5-tricarboxylicacid, 4-[(1,2-dimethoxy-2-oxoethylidene)hydrazino]-4,5-dihydro-5-methoxy-, trimethyl ester
SpectraBase Compound ID IXKQfCaO0QN
InChI InChI=1S/C14H20N4O10/c1-23-8(10(20)25-3)16-17-13(11(21)26-4)7(9(19)24-2)15-18-14(13,28-6)12(22)27-5/h17-18H,1-6H3/b16-8-
InChIKey XCFCCIXDGMDNGT-PXNMLYILSA-N
Mol Weight 404.33 g/mol
Molecular Formula C14H20N4O10
Exact Mass 404.117943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kv3iCP0Ajxv
Name 1H-Pyrazole-3,4,5-tricarboxylicacid, 4-[(1,2-dimethoxy-2-oxoethylidene)hydrazino]-4,5-dihydro-5-methoxy-, trimethyl ester
CAS Registry Number 81268-36-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20N4O10
InChI InChI=1S/C14H20N4O10/c1-23-8(10(20)25-3)16-17-13(11(21)26-4)7(9(19)24-2)15-18-14(13,28-6)12(22)27-5/h17-18H,1-6H3/b16-8-
InChIKey XCFCCIXDGMDNGT-PXNMLYILSA-N
Molecular Weight 404.332 g/mol
SMILES N1N=C(C(C1(C(=O)OC)OC)(N\N=C\(C(=O)OC)OC)C(=O)OC)C(=O)OC
SPLASH splash10-014i-0900200000-6deaa99ddb8c9bbb9a7d
Source of Spectrum K-115-692-0
Synonyms trimethyl 4-[(2Z)-2-(1,2-dimethoxy-2-oxoethylidene)hydrazino]-5-methoxy-4,5-dihydro-1H-pyrazole-3,4,5-tricarboxylate Trimethyl ester of 5-methoxy-4-{N'-[methoxy(methoxycarbonyl)methylene]hydrazino}-2-pyrazolin-3,4,5-tricarboxylic acid
Wiley ID 1371026