| SpectraBase Compound ID | 7iMzu2dZ7mv |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-3-4-7-13-20-16(18)11-8-12-17(19)21-15-10-6-5-9-14(15)2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3 |
| InChIKey | RGOKNSCKUQGSLI-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DV8LCkA8hf0 |
|---|---|
| Name | Glutaric acid, 2-methylphenyl pentyl 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/c1-3-4-7-13-20-16(18)11-8-12-17(19)21-15-10-6-5-9-14(15)2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3 |
| InChIKey | RGOKNSCKUQGSLI-UHFFFAOYSA-N |
| SMILES | CCCCCOC(CCCC(OC1=C(C=CC=C1)C)=O)=O |