| SpectraBase Spectrum ID |
FuQRGFwmi9D |
| Name |
Ethyl trans-caffeate, bis(trimethylacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.188588616 u |
| Formula |
C21H28O6 |
| InChI |
InChI=1S/C21H28O6/c1-8-25-17(22)12-10-14-9-11-15(26-18(23)20(2,3)4)16(13-14)27-19(24)21(5,6)7/h9-13H,8H2,1-7H3/b12-10+ |
| InChIKey |
YQFREPQMKLGLBD-ZRDIBKRKSA-N |
| Molecular Weight |
376.449 g/mol |
| SMILES |
C(\C=C\C1=CC(OC(C(C)(C)C)=O)=C(C=C1)OC(C(C)(C)C)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914492 |
