| SpectraBase Spectrum ID |
CR6iiyrzheu |
| Name |
7-(3',4'-Methylenedioxyphenyl)-6-E-heptenoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.104858991 u |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c15-14(16)6-4-2-1-3-5-11-7-8-12-13(9-11)18-10-17-12/h3,5,7-9H,1-2,4,6,10H2,(H,15,16)/b5-3+ |
| InChIKey |
RNNKGYSBTAQFFE-HWKANZROSA-N |
| Molecular Weight |
248.278 g/mol |
| SMILES |
C12=C(OCO2)C=CC(\C=C\CCCCC(=O)O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921997 |
