| SpectraBase Compound ID | KV055IE9Gkj |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-4-5-6-9-14(2)21-17(19)12-13-18(20)22-15(3)16-10-7-8-11-16/h14-16H,4-13H2,1-3H3 |
| InChIKey | JAFGWHZDHQGLDS-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DHI9wUEwQmc |
|---|---|
| Name | Succinic acid, hept-2-yl 1-cyclopentylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-4-5-6-9-14(2)21-17(19)12-13-18(20)22-15(3)16-10-7-8-11-16/h14-16H,4-13H2,1-3H3 |
| InChIKey | JAFGWHZDHQGLDS-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OC(C1CCCC1)C)=O |