| SpectraBase Compound ID | KBZNeS21amv |
|---|---|
| InChI | InChI=1S/C13H17ClO2/c1-4-13(3,5-2)16-12(15)10-7-6-8-11(14)9-10/h6-9H,4-5H2,1-3H3 |
| InChIKey | SJNSMUALWJBEGP-UHFFFAOYSA-N |
| Mol Weight | 240.73 g/mol |
| Molecular Formula | C13H17ClO2 |
| Exact Mass | 240.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9U2FUIbPU1S |
|---|---|
| Name | 3-Methylpentan-3-yl 3-chlorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.091707485 u |
| Formula | C13H17ClO2 |
| InChI | InChI=1S/C13H17ClO2/c1-4-13(3,5-2)16-12(15)10-7-6-8-11(14)9-10/h6-9H,4-5H2,1-3H3 |
| InChIKey | SJNSMUALWJBEGP-UHFFFAOYSA-N |
| Molecular Weight | 240.730 g/mol |
| SMILES | CCC(C)(CC)OC(=O)C1=CC(=CC=C1)Cl |