| SpectraBase Compound ID | 8yjqeSCzYTn |
|---|---|
| InChI | InChI=1S/C22H22O/c1-22(20-13-7-3-8-14-20,21-15-9-4-10-16-21)23-18-17-19-11-5-2-6-12-19/h2-16H,17-18H2,1H3 |
| InChIKey | LPHLURRDJLTONV-UHFFFAOYSA-N |
| Mol Weight | 302.42 g/mol |
| Molecular Formula | C22H22O |
| Exact Mass | 302.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSd0oKQzMMw |
|---|---|
| Name | 3-Oxapentane, 2,2,5-triphenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.167065327 u |
| Formula | C22H22O |
| InChI | InChI=1S/C22H22O/c1-22(20-13-7-3-8-14-20,21-15-9-4-10-16-21)23-18-17-19-11-5-2-6-12-19/h2-16H,17-18H2,1H3 |
| InChIKey | LPHLURRDJLTONV-UHFFFAOYSA-N |
| Molecular Weight | 302.417 g/mol |
| SMILES | C1=CC=CC(=C1)C(C1=CC=CC=C1)(C)OCCC1=CC=CC=C1 |