| SpectraBase Spectrum ID |
FaXOR97Ofwf |
| Name |
4-Chloro-2',3'-dimethoxybiphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.060407357 u |
| Formula |
C14H13ClO2 |
| InChI |
InChI=1S/C14H13ClO2/c1-16-13-5-3-4-12(14(13)17-2)10-6-8-11(15)9-7-10/h3-9H,1-2H3 |
| InChIKey |
BQQSFXZPQMFLTO-UHFFFAOYSA-N |
| Molecular Weight |
248.709 g/mol |
| SMILES |
C1(=C(C=2C=CC(=CC2)Cl)C=CC=C1OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881028 |
