| SpectraBase Compound ID | 28eYpBdp9Z1 |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-15-13(14)11-7-3-6-10-12-8-4-2-5-9-12/h2,4-5,7-9,11H,3,6,10H2,1H3/b11-7+ |
| InChIKey | KZBLVCWGHBYDGQ-YRNVUSSQSA-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 | L4k1VUCSuSM |
|---|---|
| Name | 2-Hexenoic acid, 6-phenyl-, methyl ester, (E)- |
| 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/c1-15-13(14)11-7-3-6-10-12-8-4-2-5-9-12/h2,4-5,7-9,11H,3,6,10H2,1H3/b11-7+ |
| InChIKey | KZBLVCWGHBYDGQ-YRNVUSSQSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(CC1=CC=CC=C1)C\C=C\C(OC)=O |