![6-[1-[4-Methylphenyl]ethyl]-1,3-benzodioxol-5-ol](/api/spectrum/BuDIHHMqp4W/structure.png?h=300&w=458 "6-[1-[4-Methylphenyl]ethyl]-1,3-benzodioxol-5-ol")
| SpectraBase Compound ID | LdsYppe1voi |
|---|---|
| InChI | InChI=1S/C16H16O3/c1-10-3-5-12(6-4-10)11(2)13-7-15-16(8-14(13)17)19-9-18-15/h3-8,11,17H,9H2,1-2H3 |
| InChIKey | RRZLGXCBYYOONE-UHFFFAOYSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C16H16O3 |
| Exact Mass | 256.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BuDIHHMqp4W |
|---|---|
| Name | 6-[1-[4-Methylphenyl]ethyl]-1,3-benzodioxol-5-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.109944372 u |
| Formula | C16H16O3 |
| InChI | InChI=1S/C16H16O3/c1-10-3-5-12(6-4-10)11(2)13-7-15-16(8-14(13)17)19-9-18-15/h3-8,11,17H,9H2,1-2H3 |
| InChIKey | RRZLGXCBYYOONE-UHFFFAOYSA-N |
| Molecular Weight | 256.301 g/mol |
| SMILES | C1(=C(C=C2C(=C1)OCO2)O)C(C1=CC=C(C=C1)C)C |