| SpectraBase Compound ID | FzCGMoZcmpi |
|---|---|
| InChI | InChI=1S/C20H27NO3/c1-3-4-8-16-14(2)15-9-10-18(22)17(19(15)24-20(16)23)13-21-11-6-5-7-12-21/h9-10,22H,3-8,11-13H2,1-2H3 |
| InChIKey | JZJIBRSYDOKYCY-UHFFFAOYSA-N |
| Mol Weight | 329.44 g/mol |
| Molecular Formula | C20H27NO3 |
| Exact Mass | 329.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fn4stEaXHjV |
|---|---|
| Name | 3-Butyl-7-hydroxy-4-methyl-8-(piperidinomethyl)coumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.199093730 u |
| Formula | C20H27NO3 |
| InChI | InChI=1S/C20H27NO3/c1-3-4-8-16-14(2)15-9-10-18(22)17(19(15)24-20(16)23)13-21-11-6-5-7-12-21/h9-10,22H,3-8,11-13H2,1-2H3 |
| InChIKey | JZJIBRSYDOKYCY-UHFFFAOYSA-N |
| Molecular Weight | 329.440 g/mol |
| SMILES | OC=1C=CC=2C(=C(C(OC2C1CN1CCCCC1)=O)CCCC)C |