| SpectraBase Compound ID | IrqN4W5EcFH |
|---|---|
| InChI | InChI=1S/C17H16O2/c1-2-6-14(7-3-1)8-4-5-9-15-10-11-16-17(12-15)19-13-18-16/h1-4,6-8,10-12H,5,9,13H2/b8-4+ |
| InChIKey | SXNXXISPXXKLKO-XBXARRHUSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C17H16O2 |
| Exact Mass | 252.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HzYA5Cxl3tw |
|---|---|
| Name | (E)-4-(3',4'-Methylenedioxyphenyl)-1-phenylbut-1-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.115029753 u |
| Formula | C17H16O2 |
| InChI | InChI=1S/C17H16O2/c1-2-6-14(7-3-1)8-4-5-9-15-10-11-16-17(12-15)19-13-18-16/h1-4,6-8,10-12H,5,9,13H2/b8-4+ |
| InChIKey | SXNXXISPXXKLKO-XBXARRHUSA-N |
| Molecular Weight | 252.313 g/mol |
| SMILES | C1=CC(CC\C=C\C2=CC=CC=C2)=CC2=C1OCO2 |