| SpectraBase Compound ID | B6xwq98DSlE |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-5-12-18(13-6-2)24-20(22)16-10-9-11-17-21(23)25-19(14-7-3)15-8-4/h18-19H,5-17H2,1-4H3 |
| InChIKey | ZBVUWGLLVKNZAA-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 | VpeIHOQEO8 |
|---|---|
| Name | Pimelic acid, di(4-heptyl) ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-5-12-18(13-6-2)24-20(22)16-10-9-11-17-21(23)25-19(14-7-3)15-8-4/h18-19H,5-17H2,1-4H3 |
| InChIKey | ZBVUWGLLVKNZAA-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(CCCCCC(OC(CCC)CCC)=O)(OC(CCC)CCC)=O |
| SPLASH | splash10-0006-4910000000-6b90ff361b4d7ec58075 |
| Source of Spectrum | TIPS-2022-834-0 |
| Wiley ID | 1822351 |