| SpectraBase Spectrum ID |
9AjouBEK7tC |
| Name |
1-(2',6'-Dichlorophenyl)-1,3-dihydroisobenzofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.010870341 u |
| Formula |
C14H10Cl2O |
| InChI |
InChI=1S/C14H10Cl2O/c15-11-6-3-7-12(16)13(11)14-10-5-2-1-4-9(10)8-17-14/h1-7,14H,8H2 |
| InChIKey |
YKIMJSDSAWGJRO-UHFFFAOYSA-N |
| Molecular Weight |
265.139 g/mol |
| SMILES |
C1(C=2C(Cl)=CC=CC2Cl)OCC2=C1C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843998 |
