| SpectraBase Compound ID | mrCRaTo1Q3 |
|---|---|
| InChI | InChI=1S/C16H18O/c1-2-3-13-17-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,2-3,13H2,1H3 |
| InChIKey | NCJZHZJABHDELF-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C16H18O |
| Exact Mass | 226.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fyce0EoEaLP |
|---|---|
| Name | 1,1'-Biphenyl, 4-butoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.135765199 u |
| Formula | C16H18O |
| InChI | InChI=1S/C16H18O/c1-2-3-13-17-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,2-3,13H2,1H3 |
| InChIKey | NCJZHZJABHDELF-UHFFFAOYSA-N |
| Molecular Weight | 226.319 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C1=CC=CC=C1)CCC |