| SpectraBase Spectrum ID |
AGuEkMD5euV |
| Name |
(Z)-3-(4-(Isobutyryloxy)-3-methoxyphenyl)allyl isobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.162373868 u |
| Formula |
C18H24O5 |
| InChI |
InChI=1S/C18H24O5/c1-12(2)17(19)22-10-6-7-14-8-9-15(16(11-14)21-5)23-18(20)13(3)4/h6-9,11-13H,10H2,1-5H3/b7-6- |
| InChIKey |
RWETVSSIRIMMBD-SREVYHEPSA-N |
| Molecular Weight |
320.385 g/mol |
| SMILES |
C(C(C)C)(=O)OC\C=C/C1=CC(=C(C=C1)OC(C(C)C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903158 |
