| SpectraBase Compound ID | CQfh0s9baDF |
|---|---|
| InChI | InChI=1S/C8H7ClO3/c1-12-8-6(11)3-2-5(4-10)7(8)9/h2-4,11H,1H3 |
| InChIKey | TZGDDUJFJAZQEB-UHFFFAOYSA-N |
| Mol Weight | 186.59 g/mol |
| Molecular Formula | C8H7ClO3 |
| Exact Mass | 186.008372 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | C014SH2DgUg |
|---|---|
| Name | 2-Chloro-vanillin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.008371782 u |
| Formula | C8H7ClO3 |
| InChI | InChI=1S/C8H7ClO3/c1-12-8-6(11)3-2-5(4-10)7(8)9/h2-4,11H,1H3 |
| InChIKey | TZGDDUJFJAZQEB-UHFFFAOYSA-N |
| Molecular Weight | 186.594 g/mol |
| SMILES | C(=O)C1=C(Cl)C(OC)=C(O)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.943864 |