| SpectraBase Compound ID | B4d454f5CmI |
|---|---|
| InChI | InChI=1S/C14H12ClN/c15-13-6-3-7-14(8-13)16-9-11-4-1-2-5-12(11)10-16/h1-8H,9-10H2 |
| InChIKey | BNWJILALOIXNNN-UHFFFAOYSA-N |
| Mol Weight | 229.71 g/mol |
| Molecular Formula | C14H12ClN |
| Exact Mass | 229.065827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QqtWecewOK |
|---|---|
| Name | Isoindole, 2,3-dihydro-2-(3-chlorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.065827090 u |
| Formula | C14H12ClN |
| InChI | InChI=1S/C14H12ClN/c15-13-6-3-7-14(8-13)16-9-11-4-1-2-5-12(11)10-16/h1-8H,9-10H2 |
| InChIKey | BNWJILALOIXNNN-UHFFFAOYSA-N |
| Molecular Weight | 229.710 g/mol |
| SMILES | C1=CC2=C(CN(C2)C2=CC(Cl)=CC=C2)C=C1 |