| SpectraBase Compound ID | 7AbZSdboKNE |
|---|---|
| InChI | InChI=1S/C10H9ClO2/c11-9-3-1-2-8-7(6-12)4-5-13-10(8)9/h1-4,12H,5-6H2 |
| InChIKey | GXFQVEVJQYMTMR-UHFFFAOYSA-N |
| Mol Weight | 196.63 g/mol |
| Molecular Formula | C10H9ClO2 |
| Exact Mass | 196.029107 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4acqj6Jnv9J |
|---|---|
| Name | 8-Chloro-2H-1-benzopyran-4-methanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.029107228 u |
| Formula | C10H9ClO2 |
| InChI | InChI=1S/C10H9ClO2/c11-9-3-1-2-8-7(6-12)4-5-13-10(8)9/h1-4,12H,5-6H2 |
| InChIKey | GXFQVEVJQYMTMR-UHFFFAOYSA-N |
| Molecular Weight | 196.633 g/mol |
| SMILES | OCC1=CCOC=2C(=CC=CC12)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.874953 |