| SpectraBase Spectrum ID |
LWS04Yiu8mi |
| Name |
(E)-3-[4-[(E)-3-Ethoxy-3-keto-prop-1-enyl]-2,5-dimethoxy-phenyl]acrylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.141638422 u |
| Formula |
C18H22O6 |
| InChI |
InChI=1S/C18H22O6/c1-5-23-17(19)9-7-13-11-16(22-4)14(12-15(13)21-3)8-10-18(20)24-6-2/h7-12H,5-6H2,1-4H3/b9-7+,10-8+ |
| InChIKey |
TWJQWYONHFNMRI-FIFLTTCUSA-N |
| Molecular Weight |
334.368 g/mol |
| SMILES |
C=1(\C=C\C(=O)OCC)C(=CC(=C(C1)OC)\C=C\C(=O)OCC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928217 |
![(E)-3-[4-[(E)-3-ethoxy-3-keto-prop-1-enyl]-2,5-dimethoxy-phenyl]acrylic acid ethyl ester](/api/spectrum/LWS04Yiu8mi/structure.png?h=300&w=458 "(E)-3-[4-[(E)-3-ethoxy-3-keto-prop-1-enyl]-2,5-dimethoxy-phenyl]acrylic acid ethyl ester")
