| SpectraBase Compound ID | L28nujXMHk0 |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-4-6-7-8-9-10-11-12-13-14-18-25-21(23)15-16-22(24)26-19-17-20(3)5-2/h13-14,20H,4-12,15-19H2,1-3H3/b14-13+ |
| InChIKey | KKRYHIFRFQKBDC-BUHFOSPRSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7asORCb7D9S |
|---|---|
| Name | Succinic acid, dodec-2-en-1-yl 3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-4-6-7-8-9-10-11-12-13-14-18-25-21(23)15-16-22(24)26-19-17-20(3)5-2/h13-14,20H,4-12,15-19H2,1-3H3/b14-13+ |
| InChIKey | KKRYHIFRFQKBDC-BUHFOSPRSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CC(OC\C=C\CCCCCCCCC)=O)C(OCCC(C)CC)=O |