| SpectraBase Spectrum ID |
Ecj4Ccmr9Py |
| Name |
Dimethyl 2-[2-(4,5-dihydro-5-methoxycarbonyl-5-methyl-1H-pyrazol-1-yl)ethyl]malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.132136366 u |
| Formula |
C13H20N2O6 |
| InChI |
InChI=1S/C13H20N2O6/c1-13(12(18)21-4)6-7-14-15(13)8-5-9(10(16)19-2)11(17)20-3/h7,9H,5-6,8H2,1-4H3 |
| InChIKey |
BPMYGJQTQILRAK-UHFFFAOYSA-N |
| Molecular Weight |
300.311 g/mol |
| SMILES |
C1(N(N=CC1)CCC(C(=O)OC)C(=O)OC)(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957062 |
![Dimethyl 2-[2-(4,5-dihydro-5-methoxycarbonyl-5-methyl-1H-pyrazol-1-yl)ethyl]malonate](/api/spectrum/Ecj4Ccmr9Py/structure.png?h=300&w=458 "Dimethyl 2-[2-(4,5-dihydro-5-methoxycarbonyl-5-methyl-1H-pyrazol-1-yl)ethyl]malonate")
