| SpectraBase Compound ID | 4hegPwdQ3hQ |
|---|---|
| InChI | InChI=1S/C17H23ClO3/c1-17(2,3)16(20)21-12-4-5-13-6-8-14(9-7-13)15(19)10-11-18/h6-9H,4-5,10-12H2,1-3H3 |
| InChIKey | VKDWQHIFBDNIBE-UHFFFAOYSA-N |
| Mol Weight | 310.82 g/mol |
| Molecular Formula | C17H23ClO3 |
| Exact Mass | 310.133572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JOIwrQsXyId |
|---|---|
| Name | 3-(4-(3-Chloro-1-oxopropyl)phenyl)propyl 2,2-dimethylpropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.133572298 u |
| Formula | C17H23ClO3 |
| InChI | InChI=1S/C17H23ClO3/c1-17(2,3)16(20)21-12-4-5-13-6-8-14(9-7-13)15(19)10-11-18/h6-9H,4-5,10-12H2,1-3H3 |
| InChIKey | VKDWQHIFBDNIBE-UHFFFAOYSA-N |
| SMILES | C(C(C)(C)C)(=O)OCCCC1=CC=C(C(=O)CCCl)C=C1 |