| SpectraBase Compound ID | 1eTssxBcOJO |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h5,8,14H,2-4,6-7,9-13H2,1H3 |
| InChIKey | XKXPITLDPZWLCF-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DQjAwA5zCRD |
|---|---|
| Name | Succinic acid, cyclohex-2-enylmethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h5,8,14H,2-4,6-7,9-13H2,1H3 |
| InChIKey | XKXPITLDPZWLCF-UHFFFAOYSA-N |
| SMILES | C(C(OCC1CCCC=C1)=O)CC(OCCCCC)=O |