| SpectraBase Compound ID | CjLEtFDPt64 |
|---|---|
| InChI | InChI=1S/C15H16O2/c1-5-8-16-12-9-11(2)13-6-7-15(3,4)17-14(13)10-12/h1,6-7,9-10H,8H2,2-4H3 |
| InChIKey | XINHGCDHAJRVCY-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C15H16O2 |
| Exact Mass | 228.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Q7tKOA2MlQ |
|---|---|
| Name | 2,2,5-Trimethyl-7-prop-2-ynoxy-1-benzopyran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.115029753 u |
| Formula | C15H16O2 |
| InChI | InChI=1S/C15H16O2/c1-5-8-16-12-9-11(2)13-6-7-15(3,4)17-14(13)10-12/h1,6-7,9-10H,8H2,2-4H3 |
| InChIKey | XINHGCDHAJRVCY-UHFFFAOYSA-N |
| Molecular Weight | 228.291 g/mol |
| SMILES | C1(C=CC=2C(=CC(=CC2O1)OCC#C)C)(C)C |