| SpectraBase Compound ID | EXVx0UDGmtU |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-3-4-5-6-13(14)15-12-9-7-11(2)8-10-12/h5-10H,3-4H2,1-2H3/b6-5+ |
| InChIKey | ZSNJETLPYLDVIM-AATRIKPKSA-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 | 6C3fKC5JRUI |
|---|---|
| Name | 2-Hexenoic acid, 4-methylphenyl ester |
| 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/c1-3-4-5-6-13(14)15-12-9-7-11(2)8-10-12/h5-10H,3-4H2,1-2H3/b6-5+ |
| InChIKey | ZSNJETLPYLDVIM-AATRIKPKSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C)(\C=C\CCC)=O |