| SpectraBase Compound ID | BpSgYj4htaX |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-5-6-7-8-11-14-17-20-27-23(25)18-15-12-9-10-13-16-19-24(26)28-22(4)21(2)3/h21-22H,5-20H2,1-4H3 |
| InChIKey | SHLOXMWTXMWLOF-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C24H46O4 |
| Exact Mass | 398.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EfSFH4Ht69F |
|---|---|
| Name | Sebacic acid, 3-methylbut-2-yl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.339609957 u |
| Formula | C24H46O4 |
| InChI | InChI=1S/C24H46O4/c1-5-6-7-8-11-14-17-20-27-23(25)18-15-12-9-10-13-16-19-24(26)28-22(4)21(2)3/h21-22H,5-20H2,1-4H3 |
| InChIKey | SHLOXMWTXMWLOF-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | C(C(OC(C(C)C)C)=O)CCCCCCCC(OCCCCCCCCC)=O |