SpectraBase Compound ID | ElyLLKBRnn2 |
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InChI | InChI=1S/C12H9ClO/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9/h1-8,14H |
InChIKey | MXORDJXBRHNWBE-UHFFFAOYSA-N |
Mol Weight | 204.66 g/mol |
Molecular Formula | C12H9ClO |
Exact Mass | 204.034193 g/mol |
SpectraBase Spectrum ID | 5MhSEA2bhzF |
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Name | [1,1'-Biphenyl-4-ol], 2-chloro- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 204.034192609 u |
Formula | C12H9ClO |
InChI | InChI=1S/C12H9ClO/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9/h1-8,14H |
InChIKey | MXORDJXBRHNWBE-UHFFFAOYSA-N |
Molecular Weight | 204.656 g/mol |
SMILES | C1(=CC(=CC=C1C1=CC=CC=C1)O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834212 |