| SpectraBase Compound ID | BQBTi6KiTJs |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-3-11-21-17(19)15-9-4-5-10-16(15)18(20)22-14-8-6-7-13(2)12-14/h6-8,12,15-16H,3-5,9-11H2,1-2H3 |
| InChIKey | WAJUTQNVYACEQR-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LpkcJOkoUN |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-3-11-21-17(19)15-9-4-5-10-16(15)18(20)22-14-8-6-7-13(2)12-14/h6-8,12,15-16H,3-5,9-11H2,1-2H3 |
| InChIKey | WAJUTQNVYACEQR-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC=C1)C)OC(C1CCCCC1C(=O)OCCC)=O |