![6-[(1',3'-Benzodioxol-5'-yl)methyl]-tetrahydro-2H-pyran-2-one](/api/spectrum/2EKhOnRof8R/structure.png?h=300&w=458 "6-[(1',3'-Benzodioxol-5'-yl)methyl]-tetrahydro-2H-pyran-2-one")
| SpectraBase Compound ID | FhlDvjcOP6c |
|---|---|
| InChI | InChI=1S/C13H14O4/c14-13-3-1-2-10(17-13)6-9-4-5-11-12(7-9)16-8-15-11/h4-5,7,10H,1-3,6,8H2 |
| InChIKey | JNXMNGFRKHJOLQ-UHFFFAOYSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C13H14O4 |
| Exact Mass | 234.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2EKhOnRof8R |
|---|---|
| Name | 6-[(1',3'-Benzodioxol-5'-yl)methyl]-tetrahydro-2H-pyran-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.089208927 u |
| Formula | C13H14O4 |
| InChI | InChI=1S/C13H14O4/c14-13-3-1-2-10(17-13)6-9-4-5-11-12(7-9)16-8-15-11/h4-5,7,10H,1-3,6,8H2 |
| InChIKey | JNXMNGFRKHJOLQ-UHFFFAOYSA-N |
| Molecular Weight | 234.251 g/mol |
| SMILES | C1(OC(CCC1)CC=1C=C2OCOC2=CC1)=O |