| SpectraBase Spectrum ID |
6lG5a5XdML7 |
| Name |
3-(4-Allyl-2-methoxyphenoxy)-1,2-propanediol, diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.141638422 u |
| Formula |
C17H22O6 |
| InChI |
InChI=1S/C17H22O6/c1-5-6-14-7-8-16(17(9-14)20-4)22-11-15(23-13(3)19)10-21-12(2)18/h5,7-9,15H,1,6,10-11H2,2-4H3 |
| InChIKey |
IEPNMPBUURKJHO-UHFFFAOYSA-N |
| Molecular Weight |
322.357 g/mol |
| SMILES |
C(OC1=C(C=C(C=C1)CC=C)OC)C(OC(=O)C)COC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966227 |
