| SpectraBase Compound ID | AB4fTH4Eub |
|---|---|
| InChI | InChI=1S/C13H17ClO3/c1-3-7-16-9-10(2)17-13(15)11-5-4-6-12(14)8-11/h4-6,8,10H,3,7,9H2,1-2H3 |
| InChIKey | JLZNAUDNKRUWES-UHFFFAOYSA-N |
| Mol Weight | 256.73 g/mol |
| Molecular Formula | C13H17ClO3 |
| Exact Mass | 256.086622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fac9A7DUcqQ |
|---|---|
| Name | 1-Propoxypropan-2-yl 3-chlorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.086622104 u |
| Formula | C13H17ClO3 |
| InChI | InChI=1S/C13H17ClO3/c1-3-7-16-9-10(2)17-13(15)11-5-4-6-12(14)8-11/h4-6,8,10H,3,7,9H2,1-2H3 |
| InChIKey | JLZNAUDNKRUWES-UHFFFAOYSA-N |
| Molecular Weight | 256.729 g/mol |
| SMILES | C(C)(COCCC)OC(=O)C1=CC(=CC=C1)Cl |