![6-[1-[4-Methoxyphenyl]ethyl]-1,3-benzodioxol-5-ol](/api/spectrum/I9Aa7aTLUzk/structure.png?h=300&w=458 "6-[1-[4-Methoxyphenyl]ethyl]-1,3-benzodioxol-5-ol")
| SpectraBase Compound ID | BNDpZit2jKl |
|---|---|
| InChI | InChI=1S/C16H16O4/c1-10(11-3-5-12(18-2)6-4-11)13-7-15-16(8-14(13)17)20-9-19-15/h3-8,10,17H,9H2,1-2H3 |
| InChIKey | QMDPKFZRXHOXTD-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C16H16O4 |
| Exact Mass | 272.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I9Aa7aTLUzk |
|---|---|
| Name | 6-[1-[4-Methoxyphenyl]ethyl]-1,3-benzodioxol-5-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.104858991 u |
| Formula | C16H16O4 |
| InChI | InChI=1S/C16H16O4/c1-10(11-3-5-12(18-2)6-4-11)13-7-15-16(8-14(13)17)20-9-19-15/h3-8,10,17H,9H2,1-2H3 |
| InChIKey | QMDPKFZRXHOXTD-UHFFFAOYSA-N |
| Molecular Weight | 272.300 g/mol |
| SMILES | C1=C(C(=CC2=C1OCO2)O)C(C)C1=CC=C(C=C1)OC |