| SpectraBase Spectrum ID |
LqrHefIv1sS |
| Name |
2-(2-Methylhepta-2,3-dienyl)malonic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.136159120 u |
| Formula |
C13H20O4 |
| InChI |
InChI=1S/C13H20O4/c1-5-6-7-8-10(2)9-11(12(14)16-3)13(15)17-4/h7,11H,5-6,9H2,1-4H3 |
| InChIKey |
NGNHEIFAOBSLLC-UHFFFAOYSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
C(C(=O)OC)(C(=O)OC)CC(=C=CCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826048 |
