SpectraBase Compound ID | 77r6s2fvmcR |
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InChI | InChI=1S/C14H13Cl2NO/c15-11-7-4-8-12(16)14(11)17-13(9-18)10-5-2-1-3-6-10/h1-8,13,17-18H,9H2 |
InChIKey | JHLDNFWSSBTACJ-UHFFFAOYSA-N |
Mol Weight | 282.17 g/mol |
Molecular Formula | C14H13Cl2NO |
Exact Mass | 281.037419 g/mol |
SpectraBase Spectrum ID | HdOFN0lvfJf |
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Name | 2-((2,6-Dichlorophenyl)amino)benzeneethanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 281.037419442 u |
Formula | C14H13Cl2NO |
InChI | InChI=1S/C14H13Cl2NO/c15-11-7-4-8-12(16)14(11)17-13(9-18)10-5-2-1-3-6-10/h1-8,13,17-18H,9H2 |
InChIKey | JHLDNFWSSBTACJ-UHFFFAOYSA-N |
SMILES | C1=CC(=CC=C1)C(CO)NC1=C(C=CC=C1Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873401 |