![2-(hydroxymethyl)-2-methyl-3,4-dihydro-2H,5H-pyrano[3,2-c]chromen-5-one](/api/spectrum/3MTS1tOLkxi/structure.png?h=300&w=458 "2-(hydroxymethyl)-2-methyl-3,4-dihydro-2H,5H-pyrano[3,2-c]chromen-5-one")
| SpectraBase Compound ID | 1EfuW202Fxc |
|---|---|
| InChI | InChI=1S/C14H14O4/c1-14(8-15)7-6-10-12(18-14)9-4-2-3-5-11(9)17-13(10)16/h2-5,15H,6-8H2,1H3 |
| InChIKey | MGGCJHKMPYYLPX-UHFFFAOYSA-N |
| Mol Weight | 246.26 g/mol |
| Molecular Formula | C14H14O4 |
| Exact Mass | 246.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MTS1tOLkxi |
|---|---|
| Name | 2-(Hydroxymethyl)-2-methyl-3,4-dihydro-2H,5H-pyrano[3,2-C]chromen-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.089208927 u |
| Formula | C14H14O4 |
| InChI | InChI=1S/C14H14O4/c1-14(8-15)7-6-10-12(18-14)9-4-2-3-5-11(9)17-13(10)16/h2-5,15H,6-8H2,1H3 |
| InChIKey | MGGCJHKMPYYLPX-UHFFFAOYSA-N |
| Molecular Weight | 246.262 g/mol |
| SMILES | C12=C(C(=O)OC=3C2=CC=CC3)CCC(O1)(CO)C |