| SpectraBase Compound ID | EiLgCR09iIJ |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-4-7-8-9-10-14-18-24-20(22)16-12-11-13-17-21(23)25-19(6-3)15-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | NBRBFUDKFSGOPR-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IzYhZI0u1Hb |
|---|---|
| Name | Pimelic acid, hex-3-yl octyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-4-7-8-9-10-14-18-24-20(22)16-12-11-13-17-21(23)25-19(6-3)15-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | NBRBFUDKFSGOPR-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(CCCCCC(OC(CCC)CC)=O)(OCCCCCCCC)=O |
| SPLASH | splash10-0006-6910000000-81c27bfccdfba470bb72 |
| Source of Spectrum | TIPS-2022-962-0 |
| Wiley ID | 1822479 |