| SpectraBase Compound ID | CxgWZgf55EQ |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-2-19-15(17)9-8-14(16)10-11-18-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3 |
| InChIKey | IGFHOAYLBRNFTP-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYuGmH3zu4v |
|---|---|
| Name | Hexanoic acid, 4-oxo-6-(phenylmethoxy)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.136159120 u |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-2-19-15(17)9-8-14(16)10-11-18-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3 |
| InChIKey | IGFHOAYLBRNFTP-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | C(=O)(CCC(=O)CCOCC1=CC=CC=C1)OCC |