| SpectraBase Spectrum ID |
D647FjKPAgO |
| Name |
Ethanone, 1-(5-ethyl-2-hydroxy-4-methoxyphenyl)-2-(3,4-methylenedioxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.115423675 u |
| Formula |
C18H18O5 |
| InChI |
InChI=1S/C18H18O5/c1-3-12-8-13(15(20)9-17(12)21-2)14(19)6-11-4-5-16-18(7-11)23-10-22-16/h4-5,7-9,20H,3,6,10H2,1-2H3 |
| InChIKey |
DWPRZCXHMUDAIE-UHFFFAOYSA-N |
| Molecular Weight |
314.337 g/mol |
| SMILES |
C1(C(CC=2C=C3OCOC3=CC2)=O)=C(C=C(C(=C1)CC)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961693 |
