SpectraBase Compound ID | 86fGxTNhfkT |
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InChI | InChI=1S/C12H10ClNO/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,14H2 |
InChIKey | QKKBREBZMUFUDS-UHFFFAOYSA-N |
Mol Weight | 219.67 g/mol |
Molecular Formula | C12H10ClNO |
Exact Mass | 219.045092 g/mol |
SpectraBase Spectrum ID | CtzQuw3DFXZ |
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Name | o-(p-Chlorophenoxy)aniline |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 219.045091645 u |
Formula | C12H10ClNO |
InChI | InChI=1S/C12H10ClNO/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,14H2 |
InChIKey | QKKBREBZMUFUDS-UHFFFAOYSA-N |
SMILES | NC=1C(=CC=CC1)OC=1C=CC(=CC1)Cl |
Spectrum/Structure Validation Score (Raman) | 0.980984 |