| SpectraBase Compound ID | HT86LfCWRnz |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-5-12-20-16(18)10-7-11-17(19)21-15-9-6-8-13(2)14(15)3/h6,8-9H,4-5,7,10-12H2,1-3H3 |
| InChIKey | OTUGDSXSONGRAA-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AYp6KMp06xi |
|---|---|
| Name | Glutaric acid, butyl 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-4-5-12-20-16(18)10-7-11-17(19)21-15-9-6-8-13(2)14(15)3/h6,8-9H,4-5,7,10-12H2,1-3H3 |
| InChIKey | OTUGDSXSONGRAA-UHFFFAOYSA-N |
| SMILES | CCCCOC(CCCC(OC1=CC=CC(=C1C)C)=O)=O |