| SpectraBase Compound ID | 6B1ZIniyWs2 |
|---|---|
| InChI | InChI=1S/C9H7ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2 |
| InChIKey | LLTDYHFVIVSQPJ-UHFFFAOYSA-N |
| Mol Weight | 182.61 g/mol |
| Molecular Formula | C9H7ClO2 |
| Exact Mass | 182.013457 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FkI65pgcTXd |
|---|---|
| Name | 6-Chloro-4-chromanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.013457163 u |
| Formula | C9H7ClO2 |
| InChI | InChI=1S/C9H7ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2 |
| InChIKey | LLTDYHFVIVSQPJ-UHFFFAOYSA-N |
| Molecular Weight | 182.606 g/mol |
| SMILES | C1=C(C=C2C(CCOC2=C1)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.871752 |