| SpectraBase Compound ID | 65aYBLBGMQN |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-4-7-14-20-16(18)12-9-8-10-13-17(19)21-15(6-3)11-5-2/h15H,4-14H2,1-3H3 |
| InChIKey | JSZDTTKEZVRPBF-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 64jsUnAc1n8 |
|---|---|
| Name | Pimelic acid, hex-3-yl butyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-4-7-14-20-16(18)12-9-8-10-13-17(19)21-15(6-3)11-5-2/h15H,4-14H2,1-3H3 |
| InChIKey | JSZDTTKEZVRPBF-UHFFFAOYSA-N |
| Molecular Weight | 300.439 g/mol |
| SMILES | C(CCCCCC(OC(CCC)CC)=O)(OCCCC)=O |
| SPLASH | splash10-002g-5900000000-65f24ef5184b4bbe623d |
| Source of Spectrum | TIPS-2022-958-0 |
| Wiley ID | 1822475 |