| SpectraBase Compound ID | zGRTnAVoYz |
|---|---|
| InChI | InChI=1S/C15H18O3/c1-10-4-3-6-15(2)12(10)8-13(16)18-14(15)11-5-7-17-9-11/h5,7,9,14H,3-4,6,8H2,1-2H3 |
| InChIKey | NXNCRUBMZIZAIS-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 | 7WnCFHfV3SZ |
|---|---|
| Name | (1rs,8Ars)-1-(3-furyl)-5,8A-dimethyl-3,4,6,7,8,8A-hexahydro-1H-2-benzopyran-3-one |
| 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/c1-10-4-3-6-15(2)12(10)8-13(16)18-14(15)11-5-7-17-9-11/h5,7,9,14H,3-4,6,8H2,1-2H3 |
| InChIKey | NXNCRUBMZIZAIS-UHFFFAOYSA-N |
| Molecular Weight | 246.306 g/mol |
| SMILES | C12(C(=C(C)CCC2)CC(OC1C1=COC=C1)=O)C |