| SpectraBase Spectrum ID |
3TACgtzDng1 |
| Name |
Benzoic acid, 2-[2-(3-chlorophenyl)ethyl]-; benzoic acid, o-(m-chlorophenethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.060407357 u |
| Formula |
C15H13ClO2 |
| InChI |
InChI=1S/C15H13ClO2/c16-13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)15(17)18/h1-7,10H,8-9H2,(H,17,18) |
| InChIKey |
PONQIWMJEJJHCP-UHFFFAOYSA-N |
| Molecular Weight |
260.720 g/mol |
| SMILES |
OC(C=1C(CCC2=CC=CC(=C2)Cl)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.923067 |
![Benzoic acid, 2-[2-(3-chlorophenyl)ethyl]-; benzoic acid, o-(m-chlorophenethyl)-](/api/spectrum/3TACgtzDng1/structure.png?h=300&w=458 "Benzoic acid, 2-[2-(3-chlorophenyl)ethyl]-; benzoic acid, o-(m-chlorophenethyl)-")
