| SpectraBase Spectrum ID |
IIqi0ZQ4rad |
| Name |
1-(4-Benzyloxy-3,5-dimethoxyphenyl)propan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.136159120 u |
| Formula |
C18H20O4 |
| InChI |
InChI=1S/C18H20O4/c1-13(19)9-15-10-16(20-2)18(17(11-15)21-3)22-12-14-7-5-4-6-8-14/h4-8,10-11H,9,12H2,1-3H3 |
| InChIKey |
QFQFBNNMGGKHTR-UHFFFAOYSA-N |
| Molecular Weight |
300.354 g/mol |
| SMILES |
C=1(C(=CC(=CC1OC)CC(=O)C)OC)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955397 |
