| SpectraBase Spectrum ID |
A1FLLW6q7AS |
| Name |
Methyl 4-(2-chlorocyclohex-1-enecarbonyl)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.070972040 u |
| Formula |
C15H15ClO3 |
| InChI |
InChI=1S/C15H15ClO3/c1-19-15(18)11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)16/h6-9H,2-5H2,1H3 |
| InChIKey |
KIYOENJIIOUGHE-UHFFFAOYSA-N |
| Molecular Weight |
278.735 g/mol |
| SMILES |
C1=CC(=CC=C1C(=O)OC)C(=O)C=1CCCCC1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944662 |
