| SpectraBase Compound ID | 8Xl3OU1dD0C |
|---|---|
| InChI | InChI=1S/C16H12ClN/c17-14-8-6-12(7-9-14)15-10-16(15,11-18)13-4-2-1-3-5-13/h1-9,15H,10H2/t15-,16+/m0/s1 |
| InChIKey | FFTZXVFKYHGEQP-JKSUJKDBSA-N |
| Mol Weight | 253.73 g/mol |
| Molecular Formula | C16H12ClN |
| Exact Mass | 253.065827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ek4xtyAVOC3 |
|---|---|
| Name | (Z)-(-)-2-(4-chlorophenyl)-1-phenylcyclopropanecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.065827090 u |
| Formula | C16H12ClN |
| InChI | InChI=1S/C16H12ClN/c17-14-8-6-12(7-9-14)15-10-16(15,11-18)13-4-2-1-3-5-13/h1-9,15H,10H2/t15-,16+/m0/s1 |
| InChIKey | FFTZXVFKYHGEQP-JKSUJKDBSA-N |
| Molecular Weight | 253.732 g/mol |
| SMILES | C1[C@]([C@@]1(C1=CC=CC=C1)C#N)(C=1C=CC(=CC1)Cl)[H] |