| SpectraBase Compound ID | 2c48y3QMx54 |
|---|---|
| InChI | InChI=1S/C17H32O5/c1-6-8-9-10-13-20-14(18)11-12-15(19)21-16(7-2)22-17(3,4)5/h16H,6-13H2,1-5H3 |
| InChIKey | NBDJEPWZBSVRQB-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C17H32O5 |
| Exact Mass | 316.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItNQTOmu8ur |
|---|---|
| Name | Succinic acid, hexyl 1-tert-butoxyprop-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.224974125 u |
| Formula | C17H32O5 |
| InChI | InChI=1S/C17H32O5/c1-6-8-9-10-13-20-14(18)11-12-15(19)21-16(7-2)22-17(3,4)5/h16H,6-13H2,1-5H3 |
| InChIKey | NBDJEPWZBSVRQB-UHFFFAOYSA-N |
| Molecular Weight | 316.438 g/mol |
| SMILES | C(OC(OC(C)(C)C)CC)(=O)CCC(OCCCCCC)=O |