| SpectraBase Spectrum ID |
JlQbKeXQ4Er |
| Name |
Cinnamodial 12-ethylene acetal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.188588616 u |
| Formula |
C19H28O6 |
| InChI |
InChI=1S/C19H28O6/c1-12(21)25-14-10-13(16-23-8-9-24-16)19(22,11-20)18(4)7-5-6-17(2,3)15(14)18/h10-11,14-16,22H,5-9H2,1-4H3 |
| InChIKey |
RLEVHDCNNSDXHJ-UHFFFAOYSA-N |
| Molecular Weight |
352.427 g/mol |
| SMILES |
C=1(C(C2(CCCC(C2C(C1)OC(=O)C)(C)C)C)(C=O)O)C1OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901075 |
