| SpectraBase Spectrum ID |
JGy2o1kp8C |
| Name |
2-hex-5-Enylmalonic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.151809184 u |
| Formula |
C13H22O4 |
| InChI |
InChI=1S/C13H22O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h4,11H,1,5-10H2,2-3H3 |
| InChIKey |
FSQVHVHUSXMPOB-UHFFFAOYSA-N |
| Molecular Weight |
242.315 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)CCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975107 |
