SpectraBase Compound ID | 8L08hMY4geE |
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InChI | InChI=1S/C9H12FNO/c1-11-6-9(12)7-3-2-4-8(10)5-7/h2-5,9,11-12H,6H2,1H3 |
InChIKey | UAFKHMNFUKZFRS-UHFFFAOYSA-N |
Mol Weight | 169.2 g/mol |
Molecular Formula | C9H12FNO |
Exact Mass | 169.090292 g/mol |
SpectraBase Spectrum ID | G978cJsZ26L |
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Name | m-Fluoro-alpha-[(methylamino)methyl]benzyl alcohol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 169.090292172 u |
Formula | C9H12FNO |
InChI | InChI=1S/C9H12FNO/c1-11-6-9(12)7-3-2-4-8(10)5-7/h2-5,9,11-12H,6H2,1H3 |
InChIKey | UAFKHMNFUKZFRS-UHFFFAOYSA-N |
Molecular Weight | 169.199 g/mol |
SMILES | N(CC(C1=CC=CC(=C1)F)O)C |
Spectrum/Structure Validation Score (Raman) | 0.940337 |