| SpectraBase Compound ID | HSAeHnEUbex |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-11(18-2)6-4-8-13-10-12-7-5-9-14(19-3)15(12)16(17)20-13/h5,7,9,11,13H,4,6,8,10H2,1-3H3 |
| InChIKey | JEEOQVGIPVKQBV-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IGjmPiApexP |
|---|---|
| Name | 8-Hydroxy-3-(4-hydroxypentyl)isochroman-1-one, dimethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-11(18-2)6-4-8-13-10-12-7-5-9-14(19-3)15(12)16(17)20-13/h5,7,9,11,13H,4,6,8,10H2,1-3H3 |
| InChIKey | JEEOQVGIPVKQBV-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1(OC(CC2=C1C(=CC=C2)OC)CCCC(C)OC)=O |