| SpectraBase Compound ID | B3BdNu07Mme |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-14(2,3)9-16-11-6-4-10-5-7-13(15)17-12(10)8-11/h4-8H,9H2,1-3H3 |
| InChIKey | RQMLUJJGVYFTQK-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BmzKbCBU5S |
|---|---|
| Name | 7-(Neopentyl)oxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.109944372 u |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c1-14(2,3)9-16-11-6-4-10-5-7-13(15)17-12(10)8-11/h4-8H,9H2,1-3H3 |
| InChIKey | RQMLUJJGVYFTQK-UHFFFAOYSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C=C2)OCC(C)(C)C |