| SpectraBase Compound ID | LtVZPnBbnI8 |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-3-5-6-13-18-25-21(23)16-11-8-12-17-22(24)26-20(4-2)19-14-9-7-10-15-19/h7,9-10,14-15,20H,3-6,8,11-13,16-18H2,1-2H3 |
| InChIKey | QZMOCMOKQDBZAK-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 | KCEBMz080NL |
|---|---|
| Name | Pimelic acid, hexyl 1-phenylpropyl 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/c1-3-5-6-13-18-25-21(23)16-11-8-12-17-22(24)26-20(4-2)19-14-9-7-10-15-19/h7,9-10,14-15,20H,3-6,8,11-13,16-18H2,1-2H3 |
| InChIKey | QZMOCMOKQDBZAK-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCCC(OCCCCCC)=O)CC(OC(CC)C1=CC=CC=C1)=O |