| SpectraBase Compound ID | AdkjNsFGgBk |
|---|---|
| InChI | InChI=1S/C10H11NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H |
| InChIKey | FXHCFPUEIDRTMR-UHFFFAOYSA-N |
| Mol Weight | 212.66 g/mol |
| Molecular Formula | C10H11ClNO2 |
| Exact Mass | 212.047831 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HP4YHCMDfS1 |
|---|---|
| Name | 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.055656328 u |
| Formula | C10H12ClNO2 |
| InChI | InChI=1S/C10H11NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H |
| InChIKey | FXHCFPUEIDRTMR-UHFFFAOYSA-N |
| SMILES | Cl.N1C(C(O)=O)CC=2C=CC=CC2C1 |
| Spectrum/Structure Validation Score (Raman) | 0.980036 |