| SpectraBase Compound ID | K1NDtK0utb5 |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-10-19-15(17)8-5-9-16(18)20-12-14-7-4-6-13(2)11-14/h4,6-7,11H,3,5,8-10,12H2,1-2H3 |
| InChIKey | MZGKDTFTSHWNEX-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EGUQrtmTIog |
|---|---|
| Name | Glutaric acid, 3-methylbenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-3-10-19-15(17)8-5-9-16(18)20-12-14-7-4-6-13(2)11-14/h4,6-7,11H,3,5,8-10,12H2,1-2H3 |
| InChIKey | MZGKDTFTSHWNEX-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(OCC1=CC(=CC=C1)C)(=O)CCCC(OCCC)=O |