| SpectraBase Compound ID | F02reUSqhyQ |
|---|---|
| InChI | InChI=1S/C9H12ClNO/c1-7-6-8(12-5-4-11)2-3-9(7)10/h2-3,6H,4-5,11H2,1H3 |
| InChIKey | BDMIIOXQERVSLH-UHFFFAOYSA-N |
| Mol Weight | 185.65 g/mol |
| Molecular Formula | C9H12ClNO |
| Exact Mass | 185.060742 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1RnXCXNhyjX |
|---|---|
| Name | 2-(4-Chloro-3-methylphenoxy)ethanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.060741709 u |
| Formula | C9H12ClNO |
| InChI | InChI=1S/C9H12ClNO/c1-7-6-8(12-5-4-11)2-3-9(7)10/h2-3,6H,4-5,11H2,1H3 |
| InChIKey | BDMIIOXQERVSLH-UHFFFAOYSA-N |
| Molecular Weight | 185.654 g/mol |
| SMILES | C1(Cl)=C(C=C(C=C1)OCCN)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901138 |