| SpectraBase Compound ID | DJ0AGo50iIZ |
|---|---|
| InChI | InChI=1S/C8H10ClNO/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5,10H2 |
| InChIKey | PVBOKNRVNJCKRR-UHFFFAOYSA-N |
| Mol Weight | 171.63 g/mol |
| Molecular Formula | C8H10ClNO |
| Exact Mass | 171.045092 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KqAwiGp66Ju |
|---|---|
| Name | Benzeneethanol, 2-amino-6-chloro-; phenethyl alcohol, 2-amino-6-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.045091645 u |
| Formula | C8H10ClNO |
| InChI | InChI=1S/C8H10ClNO/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,11H,4-5,10H2 |
| InChIKey | PVBOKNRVNJCKRR-UHFFFAOYSA-N |
| SMILES | NC1=C(CCO)C(=CC=C1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.957707 |