| SpectraBase Compound ID | 5BHCVb1xBif |
|---|---|
| InChI | InChI=1S/C15H18O3/c1-10-7-14(16)18-13-6-5-11(8-12(10)13)17-9-15(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | SCYAEHRXSWFPJE-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C15H18O3 |
| Exact Mass | 246.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7DbcE0xDAl5 |
|---|---|
| Name | 6-(Neopentyl)oxy-4-methylcoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.125594437 u |
| Formula | C15H18O3 |
| InChI | InChI=1S/C15H18O3/c1-10-7-14(16)18-13-6-5-11(8-12(10)13)17-9-15(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | SCYAEHRXSWFPJE-UHFFFAOYSA-N |
| Molecular Weight | 246.306 g/mol |
| SMILES | C1=C(C=C2C(=C1)OC(=O)C=C2C)OCC(C)(C)C |