| SpectraBase Compound ID | Cznsr9rcbkP |
|---|---|
| InChI | InChI=1S/C16H13ClN2O/c17-11-14-18-16(19-20-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2 |
| InChIKey | QACSGRVQPYUCJT-UHFFFAOYSA-N |
| Mol Weight | 284.75 g/mol |
| Molecular Formula | C16H13ClN2O |
| Exact Mass | 284.071641 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 | 7uU3R3vmisR |
|---|---|
| Name | 3-Benzhydryl-5-(chloromethyl)-1,2,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.071640746 u |
| Formula | C16H13ClN2O |
| InChI | InChI=1S/C16H13ClN2O/c17-11-14-18-16(19-20-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2 |
| InChIKey | QACSGRVQPYUCJT-UHFFFAOYSA-N |
| Molecular Weight | 284.746 g/mol |
| SMILES | C=1(N=C(CCl)ON1)C(C=1C=CC=CC1)C1=CC=CC=C1 |