| SpectraBase Spectrum ID |
3lb3Li7liXV |
| Name |
Succinic acid, 2-ethylhexyl hept-1,6-dien-4-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.230059506 u |
| Formula |
C19H32O4 |
| InChI |
InChI=1S/C19H32O4/c1-5-9-12-16(8-4)15-22-18(20)13-14-19(21)23-17(10-6-2)11-7-3/h6-7,16-17H,2-3,5,8-15H2,1,4H3 |
| InChIKey |
IMRMLXJWKJDPGY-UHFFFAOYSA-N |
| Molecular Weight |
324.461 g/mol |
| SMILES |
C(CC(OCC(CC)CCCC)=O)C(OC(CC=C)CC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920027 |
