| SpectraBase Compound ID | DZV6TLL7Luv |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-4-7-9-10-14-18-24-20(22)16-12-11-13-17-21(23)25-19(6-3)15-8-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | FZZQXBINKHJSJK-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BQhZucYErOC |
|---|---|
| Name | Pimelic acid, hept-3-yl heptyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-4-7-9-10-14-18-24-20(22)16-12-11-13-17-21(23)25-19(6-3)15-8-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | FZZQXBINKHJSJK-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(CCCCCC(OCCCCCCC)=O)(OC(CCCC)CC)=O |
| SPLASH | splash10-0006-7920000000-a75984a1e3dbfdafe2e1 |
| Source of Spectrum | TIPS-2022-1019-0 |
| Wiley ID | 1822536 |