| SpectraBase Spectrum ID |
339PLScLUTy |
| Name |
3',4'-Dimethoxycinnamyl-(Z)-2-angeloylmethyl-2-butenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.172938551 u |
| Formula |
C21H26O6 |
| InChI |
InChI=1S/C21H26O6/c1-6-15(3)20(22)27-14-17(7-2)21(23)26-12-8-9-16-10-11-18(24-4)19(13-16)25-5/h6-11,13H,12,14H2,1-5H3/b9-8+,15-6-,17-7- |
| InChIKey |
SMFMXIFWUMPOHW-ADOBAWSRSA-N |
| Molecular Weight |
374.433 g/mol |
| SMILES |
C1(OC)=C(C=C(\C=C\COC(=O)\C(=C/C)COC(=O)\C(=C/C)C)C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.99031 |
