| SpectraBase Compound ID | FqfCtegTYLA |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-4-6-8-9-10-11-12-13-14-15-20-26-22(24)18-16-19-23(25)27-21(3)17-7-5-2/h14-15,21H,4-13,16-20H2,1-3H3/b15-14+ |
| InChIKey | GREMOYMMYVHSMY-CCEZHUSRSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IHgORwEkML7 |
|---|---|
| Name | Glutaric acid, dodec-2-en-1-yl 2-hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-4-6-8-9-10-11-12-13-14-15-20-26-22(24)18-16-19-23(25)27-21(3)17-7-5-2/h14-15,21H,4-13,16-20H2,1-3H3/b15-14+ |
| InChIKey | GREMOYMMYVHSMY-CCEZHUSRSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(CCC(OC\C=C\CCCCCCCCC)=O)C(OC(CCCC)C)=O |