| SpectraBase Spectrum ID |
EQRTnvQCvCP |
| Name |
(3E,5E)-5-Ethyl-6-(4-methoxyphenyl)hexa-3,5-dienoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.141244501 u |
| Formula |
C16H20O3 |
| InChI |
InChI=1S/C16H20O3/c1-4-13(6-5-7-16(17)19-3)12-14-8-10-15(18-2)11-9-14/h5-6,8-12H,4,7H2,1-3H3/b6-5+,13-12+ |
| InChIKey |
ZSPLBDAQPVZION-LHELVOSYSA-N |
| Molecular Weight |
260.333 g/mol |
| SMILES |
C(C\C=C\C(=C\C=1C=CC(=CC1)OC)CC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962478 |
