| SpectraBase Spectrum ID |
5QvsWsLoWqr |
| Name |
(2,7-Octadienyl)succinic anhydride, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h2,6-7,10H,1,3-5,8-9H2/b7-6+ |
| InChIKey |
XPIQJMUYUKAKNX-VOTSOKGWSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
C1(C(OC(C1)=O)=O)C\C=C\CCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949434 |
