| SpectraBase Compound ID | KzuguJ0U6Y8 |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-18(2)16-26-21(23)14-8-6-4-5-7-9-15-22(24)27-17-19-12-10-11-13-20(19)25-3/h10-13,18H,4-9,14-17H2,1-3H3 |
| InChIKey | VQPPLCUWSPBVPD-UHFFFAOYSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DR91rcX9W11 |
|---|---|
| Name | Sebacic acid, isobutyl 2-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.240624190 u |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-18(2)16-26-21(23)14-8-6-4-5-7-9-15-22(24)27-17-19-12-10-11-13-20(19)25-3/h10-13,18H,4-9,14-17H2,1-3H3 |
| InChIKey | VQPPLCUWSPBVPD-UHFFFAOYSA-N |
| Molecular Weight | 378.509 g/mol |
| SMILES | C(CCCCCCC(OCC(C)C)=O)CC(OCC=1C(OC)=CC=CC1)=O |