| SpectraBase Compound ID | 4igX69hEghX |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-5-6-12-17-25-21(23)15-8-7-9-16-22(24)26-20-14-11-10-13-19(20)18(2)3/h10-11,13-14,18H,4-9,12,15-17H2,1-3H3 |
| InChIKey | AZPSDFSABUJXFO-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtjuHwRcB0l |
|---|---|
| Name | Pimelic acid, hexyl 2-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-4-5-6-12-17-25-21(23)15-8-7-9-16-22(24)26-20-14-11-10-13-19(20)18(2)3/h10-11,13-14,18H,4-9,12,15-17H2,1-3H3 |
| InChIKey | AZPSDFSABUJXFO-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCCC(OCCCCCC)=O)CC(OC1=CC=CC=C1C(C)C)=O |