| SpectraBase Spectrum ID |
Jwt2Z91TtJr |
| Name |
1-(7-Methoxy-2H-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.099773610 u |
| Formula |
C17H16O5 |
| InChI |
InChI=1S/C17H16O5/c1-19-13-5-3-11(4-6-13)7-14(18)12-8-15(20-2)17-16(9-12)21-10-22-17/h3-6,8-9H,7,10H2,1-2H3 |
| InChIKey |
XVJQXXXIBOGCER-UHFFFAOYSA-N |
| SMILES |
C(CC1=CC=C(OC)C=C1)(=O)C1=CC(OC)=C2C(=C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918865 |
