| SpectraBase Spectrum ID |
8qr2PzbWepD |
| Name |
(S)-3-(4-Chlorobenzyl)isobenzofuran-1(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.044757292 u |
| Formula |
C15H11ClO2 |
| InChI |
InChI=1S/C15H11ClO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-8,14H,9H2/t14-/m0/s1 |
| InChIKey |
YDICAZHOIHWZFV-AWEZNQCLSA-N |
| Molecular Weight |
258.704 g/mol |
| SMILES |
C=1C=C2C(O[C@@](CC3=CC=C(C=C3)Cl)(C2=CC1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885227 |
