| SpectraBase Spectrum ID |
4DUrC8VF5Gb |
| Name |
4-(2-Acetoxyethyl)-2-(3-methoxy-2-methyl-(Z)-1-propenyl)-3,5-dimethylbenzyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.193673997 u |
| Formula |
C20H28O5 |
| InChI |
InChI=1S/C20H28O5/c1-13(11-23-6)9-20-15(3)19(7-8-24-16(4)21)14(2)10-18(20)12-25-17(5)22/h9-10H,7-8,11-12H2,1-6H3/b13-9- |
| InChIKey |
AMXJKZRDZNHCKK-LCYFTJDESA-N |
| Molecular Weight |
348.439 g/mol |
| SMILES |
C1(=C(C(CCOC(=O)C)=C(C=C1COC(=O)C)C)C)\C=C/(COC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924663 |
