| SpectraBase Compound ID | DwrKcjoSJp |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-3-12-19-15(17)10-7-11-16(18)20-13(2)14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3 |
| InChIKey | UFYCTILZYFNLMH-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 | 1eTFdNy2TQr |
|---|---|
| Name | Glutaric acid, 1-phenylethyl 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/c1-3-12-19-15(17)10-7-11-16(18)20-13(2)14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3 |
| InChIKey | UFYCTILZYFNLMH-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(OC(C)C1=CC=CC=C1)(=O)CCCC(OCCC)=O |