| SpectraBase Compound ID | 9yrxiWZJuyH |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-4-6-8-11-14(3)20-16(18)13-10-7-9-12-15(17)19-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | NJKOLTHNHJLVFB-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CvMSb58F8Ji |
|---|---|
| Name | Pimelic acid, hept-2-yl ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-4-6-8-11-14(3)20-16(18)13-10-7-9-12-15(17)19-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | NJKOLTHNHJLVFB-UHFFFAOYSA-N |
| Molecular Weight | 286.412 g/mol |
| SMILES | C(CCCCCC(OC(CCCCC)C)=O)(OCC)=O |
| SPLASH | splash10-00fu-5900000000-d2ff6d2b9fabf1542799 |
| Source of Spectrum | TIPS-2022-976-0 |
| Wiley ID | 1822493 |