| SpectraBase Compound ID | LXddx5j2QMR |
|---|---|
| InChI | InChI=1S/C16H28O5/c1-13(2)6-4-11-20-15(17)8-3-9-16(18)21-12-14-7-5-10-19-14/h13-14H,3-12H2,1-2H3 |
| InChIKey | FHIUYEAYXMPKGS-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C16H28O5 |
| Exact Mass | 300.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fnuamv0Pap |
|---|---|
| Name | Glutaric acid, isohexyl tetrahydrofurfuryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.193673997 u |
| Formula | C16H28O5 |
| InChI | InChI=1S/C16H28O5/c1-13(2)6-4-11-20-15(17)8-3-9-16(18)21-12-14-7-5-10-19-14/h13-14H,3-12H2,1-2H3 |
| InChIKey | FHIUYEAYXMPKGS-UHFFFAOYSA-N |
| Molecular Weight | 300.395 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OCC1CCCO1)=O)=O |