| SpectraBase Compound ID | LVk72yC2Vl0 |
|---|---|
| InChI | InChI=1S/C7H8ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H,4,9H2 |
| InChIKey | PTZMBOCHADEFMC-UHFFFAOYSA-N |
| Mol Weight | 157.6 g/mol |
| Molecular Formula | C7H8ClNO |
| Exact Mass | 157.029442 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 97bQqJkZoxv |
|---|---|
| Name | 2-(Aminomethyl)-4-chlorophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.029441581 u |
| Formula | C7H8ClNO |
| InChI | InChI=1S/C7H8ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H,4,9H2 |
| InChIKey | PTZMBOCHADEFMC-UHFFFAOYSA-N |
| Molecular Weight | 157.600 g/mol |
| SMILES | C1(Cl)=CC(=C(C=C1)O)CN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824512 |