| SpectraBase Spectrum ID |
5rmutnqPFBF |
| Name |
(4-Chlorophenyl)(2-phenylcyclopropyl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.065492738 u |
| Formula |
C16H13ClO |
| InChI |
InChI=1S/C16H13ClO/c17-13-8-6-12(7-9-13)16(18)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2 |
| InChIKey |
SESAUKNQPZECGG-UHFFFAOYSA-N |
| Molecular Weight |
256.732 g/mol |
| SMILES |
C1(C(C(=O)C=2C=CC(=CC2)Cl)C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949409 |
