| SpectraBase Compound ID | 9dkHikTJj6o |
|---|---|
| InChI | InChI=1S/C16H14O3/c1-10(2)18-11-7-8-13-15(9-11)19-14-6-4-3-5-12(14)16(13)17/h3-10H,1-2H3 |
| InChIKey | QNQVHXCUBXEBOZ-UHFFFAOYSA-N |
| Mol Weight | 254.28 g/mol |
| Molecular Formula | C16H14O3 |
| Exact Mass | 254.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2TEsu4ZAns4 |
|---|---|
| Name | 3-Isopropoxy)xanthen-9-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.094294308 u |
| Formula | C16H14O3 |
| InChI | InChI=1S/C16H14O3/c1-10(2)18-11-7-8-13-15(9-11)19-14-6-4-3-5-12(14)16(13)17/h3-10H,1-2H3 |
| InChIKey | QNQVHXCUBXEBOZ-UHFFFAOYSA-N |
| Molecular Weight | 254.285 g/mol |
| SMILES | C1(C=2C(=CC(=CC2)OC(C)C)OC2=C1C=CC=C2)=O |