| SpectraBase Spectrum ID |
D6H8K0U5uIO |
| Name |
Ethyl trans-caffeate, bis(2-methylpropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.157288487 u |
| Formula |
C19H24O6 |
| InChI |
InChI=1S/C19H24O6/c1-6-23-17(20)10-8-14-7-9-15(24-18(21)12(2)3)16(11-14)25-19(22)13(4)5/h7-13H,6H2,1-5H3/b10-8+ |
| InChIKey |
CAJVPXZNSDQHRK-CSKARUKUSA-N |
| Molecular Weight |
348.395 g/mol |
| SMILES |
C(\C=C\C1=CC(OC(C(C)C)=O)=C(C=C1)OC(C(C)C)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932013 |
