| SpectraBase Spectrum ID |
4ghzWZjeddN |
| Name |
Succinic acid, hept-2-yl dec-4-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.277009700 u |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-4-6-8-9-10-11-12-14-18-24-20(22)16-17-21(23)25-19(3)15-13-7-5-2/h10-11,19H,4-9,12-18H2,1-3H3/b11-10+ |
| InChIKey |
XSVGMXNESRERPA-ZHACJKMWSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
C(CC(OC(C)CCCCC)=O)C(OCCC\C=C\CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9871 |
