| SpectraBase Compound ID | BGHqIvNtTIQ |
|---|---|
| InChI | InChI=1S/C26H42O5/c1-3-4-5-6-9-12-15-22-30-25(27)16-13-10-7-8-11-14-17-26(28)31-24-20-18-23(29-2)19-21-24/h18-21H,3-17,22H2,1-2H3 |
| InChIKey | MANSMIJBNQFRSO-UHFFFAOYSA-N |
| Mol Weight | 434.6 g/mol |
| Molecular Formula | C26H42O5 |
| Exact Mass | 434.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RQV0cmDe9a |
|---|---|
| Name | Sebacic acid, 4-methoxyphenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.303224447 u |
| Formula | C26H42O5 |
| InChI | InChI=1S/C26H42O5/c1-3-4-5-6-9-12-15-22-30-25(27)16-13-10-7-8-11-14-17-26(28)31-24-20-18-23(29-2)19-21-24/h18-21H,3-17,22H2,1-2H3 |
| InChIKey | MANSMIJBNQFRSO-UHFFFAOYSA-N |
| Molecular Weight | 434.617 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=C(OC)C=C1)=O)C(OCCCCCCCCC)=O |