| SpectraBase Spectrum ID |
GztR90BZXfY |
| Name |
2-o-(4-o-Acetylferuloyl)-di-tert-butyl malate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.204632601 u |
| Formula |
C24H32O9 |
| InChI |
InChI=1S/C24H32O9/c1-15(25)30-17-11-9-16(13-18(17)29-8)10-12-20(26)31-19(22(28)33-24(5,6)7)14-21(27)32-23(2,3)4/h9-13,19H,14H2,1-8H3/b12-10+/t19-/m1/s1 |
| InChIKey |
SHXUPWOFYIHLBT-FMAYLGMYSA-N |
| Molecular Weight |
464.511 g/mol |
| SMILES |
C([C@@](CC(OC(C)(C)C)=O)(OC(\C=C\C=1C=C(OC)C(=CC1)OC(=O)C)=O)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982269 |
