| SpectraBase Compound ID | A147FvgMSRy |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-5-7-10-14-18(3)24-20(22)16-12-9-13-17-21(23)25-19(4)15-11-8-6-2/h18-19H,5-17H2,1-4H3 |
| InChIKey | NJMOGFSAZSTGIJ-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 | LRmd4WvZi0r |
|---|---|
| Name | Pimelic acid, di(hept-2-yl) ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-5-7-10-14-18(3)24-20(22)16-12-9-13-17-21(23)25-19(4)15-11-8-6-2/h18-19H,5-17H2,1-4H3 |
| InChIKey | NJMOGFSAZSTGIJ-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(CCCCCC(OC(CCCCC)C)=O)(OC(CCCCC)C)=O |
| SPLASH | splash10-0006-4910000000-626e6a9ec771cbeeeb7d |
| Source of Spectrum | TIPS-2022-993-0 |
| Wiley ID | 1822510 |