| SpectraBase Compound ID | 21XPRNEhtnd |
|---|---|
| InChI | InChI=1S/C16H16O3/c1-8-4-5-13(18)11-6-14-16(9(2)15(8)11)12(7-19-14)10(3)17/h6-8H,4-5H2,1-3H3/t8-/m1/s1 |
| InChIKey | DZLWJDBWHOBDIY-MRVPVSSYSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C16H16O3 |
| Exact Mass | 256.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KfHicWmXwFr |
|---|---|
| Name | Buddlejone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.109944372 u |
| Formula | C16H16O3 |
| InChI | InChI=1S/C16H16O3/c1-8-4-5-13(18)11-6-14-16(9(2)15(8)11)12(7-19-14)10(3)17/h6-8H,4-5H2,1-3H3/t8-/m1/s1 |
| InChIKey | DZLWJDBWHOBDIY-MRVPVSSYSA-N |
| Molecular Weight | 256.301 g/mol |
| SMILES | C=1(C2=C(C=3[C@@](CCC(C3C=C2OC1)=O)(C)[H])C)C(=O)C |