| SpectraBase Compound ID | Lwiio352mwD |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-4-13(2,14)10-9-11-5-7-12(15-3)8-6-11/h1,5-8,14H,9-10H2,2-3H3 |
| InChIKey | IQYKMHXFGUOKBB-UHFFFAOYSA-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 | FcwJeTcXxtg |
|---|---|
| Name | Benzenepropanol, alpha-ethynyl-4-methoxy-alpha-methyl- |
| 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/c1-4-13(2,14)10-9-11-5-7-12(15-3)8-6-11/h1,5-8,14H,9-10H2,2-3H3 |
| InChIKey | IQYKMHXFGUOKBB-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | OC(CCC1=CC=C(C=C1)OC)(C)C#C |