| SpectraBase Compound ID | HTq6bt6rXIO |
|---|---|
| InChI | InChI=1S/C22H16O2/c23-22(19-7-2-1-3-8-19)24-15-16-10-11-18-13-12-17-6-4-5-9-20(17)21(18)14-16/h1-14H,15H2 |
| InChIKey | XAFQMORPGNCYES-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C22H16O2 |
| Exact Mass | 312.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8LdpHhDV2Zd |
|---|---|
| Name | 3-Phenanthrylmethyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.115029753 u |
| Formula | C22H16O2 |
| InChI | InChI=1S/C22H16O2/c23-22(19-7-2-1-3-8-19)24-15-16-10-11-18-13-12-17-6-4-5-9-20(17)21(18)14-16/h1-14H,15H2 |
| InChIKey | XAFQMORPGNCYES-UHFFFAOYSA-N |
| Molecular Weight | 312.368 g/mol |
| SMILES | C1(=CC=C2C(=C1)C1=C(C=C2)C=CC=C1)COC(C1=CC=CC=C1)=O |