| SpectraBase Spectrum ID |
4E5UVgFM0XG |
| Name |
Succinic acid, hept-2-yl cis-pent-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.198759378 u |
| Formula |
C16H28O4 |
| InChI |
InChI=1S/C16H28O4/c1-4-6-8-10-14(3)20-16(18)12-11-15(17)19-13-9-7-5-2/h7,9,14H,4-6,8,10-13H2,1-3H3/b9-7- |
| InChIKey |
FRJKTXZPBVHCLD-CLFYSBASSA-N |
| SMILES |
C(CC(OC(C)CCCCC)=O)C(OC\C=C/CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944364 |
