| SpectraBase Compound ID | 4TSg8CksFo4 |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2 |
| InChIKey | PMVVWYMWJBCMMI-UHFFFAOYSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C16H18O2 |
| Exact Mass | 242.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IrEL2pOOZ0D |
|---|---|
| Name | 1,4-Diphenoxybutane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.130679818 u |
| Formula | C16H18O2 |
| InChI | InChI=1S/C16H18O2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2 |
| InChIKey | PMVVWYMWJBCMMI-UHFFFAOYSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C(CCCOC1=CC=CC=C1)OC1=CC=CC=C1 |