| SpectraBase Spectrum ID |
Ee2ijtJyLwU |
| Name |
(E)-9-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-6-methoxy-phenyl)non-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.178023932 u |
| Formula |
C23H26O5 |
| InChI |
InChI=1S/C23H26O5/c1-26-21-12-8-11-19(25)23(21)18(24)10-7-5-3-2-4-6-9-17-13-14-20-22(15-17)28-16-27-20/h7-8,10-15,25H,2-6,9,16H2,1H3/b10-7+ |
| InChIKey |
ZRKYLHRSTNTKNV-JXMROGBWSA-N |
| Molecular Weight |
382.456 g/mol |
| SMILES |
C=1(C(\C=C\CCCCCCC=2C=C3OCOC3=CC2)=O)C(O)=CC=CC1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85344 |
