| SpectraBase Compound ID | LN5TZ31lTvy |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-13(2,3)9-8-12(15)10-6-4-5-7-11(10)14/h4-9,14H,1-3H3/b9-8+ |
| InChIKey | CZSOEQIZQAARSL-CMDGGOBGSA-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 | FzmDgkIj0sI |
|---|---|
| Name | 2-Penten-1-one, 1-(2-hydroxyphenyl)-4,4-dimethyl-, (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/c1-13(2,3)9-8-12(15)10-6-4-5-7-11(10)14/h4-9,14H,1-3H3/b9-8+ |
| InChIKey | CZSOEQIZQAARSL-CMDGGOBGSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C=1(C(\C=C\C(C)(C)C)=O)C(O)=CC=CC1 |