| SpectraBase Compound ID | 26LNIzgjTob |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-14(3)11-16(18(20)22-5-2)17(19)13-21-12-15-9-7-6-8-10-15/h4,6-10,16H,5,11-13H2,1-3H3/b14-4+ |
| InChIKey | OCADVHUTIPUTDD-LNKIKWGQSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4mCOsMIyeT0 |
|---|---|
| Name | (E)-2-(2-Benzoxyacetyl)-4-methyl-hex-4-enoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-4-14(3)11-16(18(20)22-5-2)17(19)13-21-12-15-9-7-6-8-10-15/h4,6-10,16H,5,11-13H2,1-3H3/b14-4+ |
| InChIKey | OCADVHUTIPUTDD-LNKIKWGQSA-N |
| SMILES | C(C(=O)OCC)(C(=O)COCC1=CC=CC=C1)C\C(=C\C)C |