| SpectraBase Compound ID | 1iJmh3bbqfl |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-4-6-8-9-10-11-12-13-15-20-26-22(24)18-16-19-23(25)27-21(3)17-14-7-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | QOXNNJXPWUKWKR-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7vdZNGU8pZL |
|---|---|
| Name | Glutaric acid, 2-heptyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-4-6-8-9-10-11-12-13-15-20-26-22(24)18-16-19-23(25)27-21(3)17-14-7-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | QOXNNJXPWUKWKR-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | CC(OC(CCCC(OCCCCCCCCCCC)=O)=O)CCCCC |