| SpectraBase Compound ID | 28afaLjDhQt |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-3-12-22-17(19)15-6-4-5-7-16(15)18(20)23-14-10-8-13(21-2)9-11-14/h8-11,15-16H,3-7,12H2,1-2H3 |
| InChIKey | RLPBBLYCLFJANK-UHFFFAOYSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C18H24O5 |
| Exact Mass | 320.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2rocr8kH04 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.162373868 u |
| Formula | C18H24O5 |
| InChI | InChI=1S/C18H24O5/c1-3-12-22-17(19)15-6-4-5-7-16(15)18(20)23-14-10-8-13(21-2)9-11-14/h8-11,15-16H,3-7,12H2,1-2H3 |
| InChIKey | RLPBBLYCLFJANK-UHFFFAOYSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | C1CC(C(CC1)C(=O)OC1=CC=C(OC)C=C1)C(OCCC)=O |