| SpectraBase Compound ID | 7A4eRid5KVN |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-4-11-19-15(17)9-6-10-16(18)20-14-8-5-7-13(2)12-14/h5,7-8,12H,3-4,6,9-11H2,1-2H3 |
| InChIKey | BWUICQIYKURTLS-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 | 9U0fJu32Wv4 |
|---|---|
| Name | Glutaric acid, butyl 3-methylphenyl 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/c1-3-4-11-19-15(17)9-6-10-16(18)20-14-8-5-7-13(2)12-14/h5,7-8,12H,3-4,6,9-11H2,1-2H3 |
| InChIKey | BWUICQIYKURTLS-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(OC1=CC=CC(=C1)C)(=O)CCCC(OCCCC)=O |