| SpectraBase Compound ID | qao0TuW3dw |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-4-6-8-13-17-23-19(21)15-11-9-12-16-20(22)24-18(3)14-10-7-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | IPPGIIBWFDKTML-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | VDGBIV20KD |
|---|---|
| Name | Pimelic acid, hept-2-yl hexyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-4-6-8-13-17-23-19(21)15-11-9-12-16-20(22)24-18(3)14-10-7-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | IPPGIIBWFDKTML-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(CCCCCC(OC(CCCCC)C)=O)(OCCCCCC)=O |
| SPLASH | splash10-002f-7920000000-e3f70e97c44cff2d98cd |
| Source of Spectrum | TIPS-2022-981-0 |
| Wiley ID | 1822498 |