| SpectraBase Compound ID | IKD31iraUYN |
|---|---|
| InChI | InChI=1S/C18H34O5/c1-3-4-11-14-22-17(19)12-9-7-5-6-8-10-13-18(20)23-16-15-21-2/h3-16H2,1-2H3 |
| InChIKey | SCEBLKKEFJPTIF-UHFFFAOYSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C18H34O5 |
| Exact Mass | 330.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EgTWSCknLq |
|---|---|
| Name | Sebacic acid, 2-methoxyethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.240624190 u |
| Formula | C18H34O5 |
| InChI | InChI=1S/C18H34O5/c1-3-4-11-14-22-17(19)12-9-7-5-6-8-10-13-18(20)23-16-15-21-2/h3-16H2,1-2H3 |
| InChIKey | SCEBLKKEFJPTIF-UHFFFAOYSA-N |
| Molecular Weight | 330.465 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCC)=O)=O)COC |