| SpectraBase Compound ID | I3LTr1P5QsW |
|---|---|
| InChI | InChI=1S/C13H17ClO2/c1-3-6-12(4-2)16-13(15)10-7-5-8-11(14)9-10/h5,7-9,12H,3-4,6H2,1-2H3 |
| InChIKey | AOCUMMOCVLVVHT-UHFFFAOYSA-N |
| Mol Weight | 240.73 g/mol |
| Molecular Formula | C13H17ClO2 |
| Exact Mass | 240.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjXAjNsgIGH |
|---|---|
| Name | Hexan-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/c1-3-6-12(4-2)16-13(15)10-7-5-8-11(14)9-10/h5,7-9,12H,3-4,6H2,1-2H3 |
| InChIKey | AOCUMMOCVLVVHT-UHFFFAOYSA-N |
| Molecular Weight | 240.730 g/mol |
| SMILES | CCCC(CC)OC(=O)C1=CC=CC(=C1)Cl |