| SpectraBase Spectrum ID |
5B0vtNvsqUv |
| Name |
6-Chloro-3-(3,4-dimethoxyphenyl)chroman-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.065886659 u |
| Formula |
C17H15ClO4 |
| InChI |
InChI=1S/C17H15ClO4/c1-20-15-5-3-10(7-16(15)21-2)13-9-22-14-6-4-11(18)8-12(14)17(13)19/h3-8,13H,9H2,1-2H3 |
| InChIKey |
AYGCUJLFXYAPET-UHFFFAOYSA-N |
| Molecular Weight |
318.756 g/mol |
| SMILES |
C1(C2=C(C=CC(=C2)Cl)OCC1C=1C=C(OC)C(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876773 |
