| SpectraBase Compound ID | J3AlPsbO5wr |
|---|---|
| InChI | InChI=1S/C16H18O4/c1-9(2)12(8-10(3)17)14-15(18)11-6-4-5-7-13(11)20-16(14)19/h4-7,9,12,18H,8H2,1-3H3/t12-/m0/s1 |
| InChIKey | MKUMKXYPCMTSAE-LBPRGKRZSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5NrlLMM65B |
|---|---|
| Name | (S)-4-Hydroxy-3-(2-methyl-5-oxohexan-3-yl)-2-chromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c1-9(2)12(8-10(3)17)14-15(18)11-6-4-5-7-13(11)20-16(14)19/h4-7,9,12,18H,8H2,1-3H3/t12-/m0/s1 |
| InChIKey | MKUMKXYPCMTSAE-LBPRGKRZSA-N |
| SMILES | C1(=C(C=2C(=CC=CC2)OC1=O)O)[C@@](CC(=O)C)(C(C)C)[H] |