| SpectraBase Spectrum ID |
2ttjYB9qUuC |
| Name |
(2-Chlorocyclohex-1-enyl)(4-fluorophenyl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.056070868 u |
| Formula |
C13H12ClFO |
| InChI |
InChI=1S/C13H12ClFO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h5-8H,1-4H2 |
| InChIKey |
XQAVFEOUUZWPLM-UHFFFAOYSA-N |
| Molecular Weight |
238.689 g/mol |
| SMILES |
C1=CC(=CC=C1F)C(=O)C=1CCCCC1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895037 |
