SpectraBase Compound ID | Ae2VYJ8Nzw6 |
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InChI | InChI=1S/C9H9F3O/c1-13-6-7-4-2-3-5-8(7)9(10,11)12/h2-5H,6H2,1H3 |
InChIKey | CRUXDWLVMHPQCP-UHFFFAOYSA-N |
Mol Weight | 190.17 g/mol |
Molecular Formula | C9H9F3O |
Exact Mass | 190.060549 g/mol |
SpectraBase Spectrum ID | 8o3w0P95eu7 |
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Name | 2-(Trifluoromethyl)benzyl alcohol, methyl ether |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 190.060549398 u |
Formula | C9H9F3O |
InChI | InChI=1S/C9H9F3O/c1-13-6-7-4-2-3-5-8(7)9(10,11)12/h2-5H,6H2,1H3 |
InChIKey | CRUXDWLVMHPQCP-UHFFFAOYSA-N |
Molecular Weight | 190.165 g/mol |
SMILES | C1(=CC=CC=C1COC)C(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902576 |