| SpectraBase Compound ID | KyFK0uHnYXE |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-3-5-7-9-11-13-15-19-23-29-25(27)21-17-16-20-24(26)28-22-18-14-12-10-8-6-4-2/h12,14H,3-11,13,15-23H2,1-2H3/b14-12- |
| InChIKey | NKBYHSBIOOFMNZ-OWBHPGMISA-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 | 5Mcd880bUTc |
|---|---|
| Name | Adipic acid, cis-non-3-enyl decyl 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/c1-3-5-7-9-11-13-15-19-23-29-25(27)21-17-16-20-24(26)28-22-18-14-12-10-8-6-4-2/h12,14H,3-11,13,15-23H2,1-2H3/b14-12- |
| InChIKey | NKBYHSBIOOFMNZ-OWBHPGMISA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C(CCCC(OCC\C=C/CCCCC)=O)C(OCCCCCCCCCC)=O |