| SpectraBase Compound ID | KCyuDhoTNQ |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-12-21-17(19)8-6-5-7-9-18(20)22-16-13-14(2)10-11-15(16)3/h10-11,13H,4-9,12H2,1-3H3 |
| InChIKey | CHZHKDJGIAABHE-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJgdnZhntGD |
|---|---|
| Name | Pimelic acid, 2,5-dimethylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-4-12-21-17(19)8-6-5-7-9-18(20)22-16-13-14(2)10-11-15(16)3/h10-11,13H,4-9,12H2,1-3H3 |
| InChIKey | CHZHKDJGIAABHE-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(CCCC(OCCC)=O)CC(OC=1C(C)=CC=C(C)C1)=O |