| SpectraBase Spectrum ID |
KKTRbl6bhQ |
| Name |
1H-Pyrazole-3,4,5-tricarboxylicacid, 4-[(1,2-dimethoxy-2-oxoethylidene)hydrazino]-4,5-dihydro-5-methoxy-, trimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.117942850 u |
| 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 |
C1(C(NN=C1C(=O)OC)(C(=O)OC)OC)(N\N=C\(C(=O)OC)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916477 |
![1H-Pyrazole-3,4,5-tricarboxylicacid, 4-[(1,2-dimethoxy-2-oxoethylidene)hydrazino]-4,5-dihydro-5-methoxy-, trimethyl ester](/api/spectrum/KKTRbl6bhQ/structure.png?h=300&w=458 "1H-Pyrazole-3,4,5-tricarboxylicacid, 4-[(1,2-dimethoxy-2-oxoethylidene)hydrazino]-4,5-dihydro-5-methoxy-, trimethyl ester")
