| SpectraBase Compound ID | BNacSPRVYl0 |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-9-17-11-5-6-12-18(17)24-20(22)14-7-13-19(21)23-15-8-10-16(2)3/h5-6,11-12,16H,4,7-10,13-15H2,1-3H3 |
| InChIKey | FJODEWAAXJMEFK-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJXxKcucN2p |
|---|---|
| Name | Glutaric acid, isohexyl 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-4-9-17-11-5-6-12-18(17)24-20(22)14-7-13-19(21)23-15-8-10-16(2)3/h5-6,11-12,16H,4,7-10,13-15H2,1-3H3 |
| InChIKey | FJODEWAAXJMEFK-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=CC=CC=C1CCC)=O)=O |