| SpectraBase Compound ID | 8QzptbKtMV2 |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-10(11(2)15-12(3)14)9-13-7-5-4-6-8-13/h4-9,11H,1-3H3/b10-9+/t11-/m0/s1 |
| InChIKey | CKIPTRXYHLQKRB-USKTWTLRSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3q48K54pG1 |
|---|---|
| Name | (S,E)-3-Methyl-4-phenylbut-3-en-2-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-10(11(2)15-12(3)14)9-13-7-5-4-6-8-13/h4-9,11H,1-3H3/b10-9+/t11-/m0/s1 |
| InChIKey | CKIPTRXYHLQKRB-USKTWTLRSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(C)(=O)O[C@@](C)(\C(=C\C1=CC=CC=C1)C)[H] |