| SpectraBase Spectrum ID |
35RBy4yfblE |
| Name |
4-(1,3-Benzodioxol-5-yl)-3-hydroxy-1-(4-methoxyphenyl)butan-1-one |
| 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/c1-21-15-5-3-13(4-6-15)16(20)10-14(19)8-12-2-7-17-18(9-12)23-11-22-17/h2-7,9,14,19H,8,10-11H2,1H3 |
| InChIKey |
OJYHHDDPFZXRNZ-UHFFFAOYSA-N |
| Molecular Weight |
314.337 g/mol |
| SMILES |
C(C(CC(C1=CC=C(OC)C=C1)=O)O)C1=CC=C2C(=C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968344 |
