![4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol](/api/spectrum/GBT6ijRelip/structure.png?h=300&w=458 "4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol")
| SpectraBase Compound ID | H2u3BUA6lUQ |
|---|---|
| InChI | InChI=1S/C16H16O3/c17-14-7-4-12(5-8-14)2-1-3-13-6-9-15-16(10-13)19-11-18-15/h4-10,17H,1-3,11H2 |
| InChIKey | CUJPSAGBFRSSQP-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 | GBT6ijRelip |
|---|---|
| Name | 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol |
| 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/c17-14-7-4-12(5-8-14)2-1-3-13-6-9-15-16(10-13)19-11-18-15/h4-10,17H,1-3,11H2 |
| InChIKey | CUJPSAGBFRSSQP-UHFFFAOYSA-N |
| Molecular Weight | 256.301 g/mol |
| SMILES | C=12C(OCO2)=CC=C(C1)CCCC=1C=CC(=CC1)O |