| SpectraBase Compound ID | 9K4gVYccXSK |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-3-5-7-9-11-12-13-14-16-18-23-29-25(27)21-19-20-24(26)28-22-17-15-10-8-6-4-2/h16,18H,3-15,17,19-23H2,1-2H3/b18-16+ |
| InChIKey | LCZCDAHHEYSVGI-FBMGVBCBSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H46O4 |
| Exact Mass | 410.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1i12D1G0BXe |
|---|---|
| Name | Glutaric acid, dodec-2-en-1-yl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.339609957 u |
| Formula | C25H46O4 |
| InChI | InChI=1S/C25H46O4/c1-3-5-7-9-11-12-13-14-16-18-23-29-25(27)21-19-20-24(26)28-22-17-15-10-8-6-4-2/h16,18H,3-15,17,19-23H2,1-2H3/b18-16+ |
| InChIKey | LCZCDAHHEYSVGI-FBMGVBCBSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C(CCC(OC\C=C\CCCCCCCCC)=O)C(OCCCCCCCC)=O |