SpectraBase Compound ID | 1GqIVFbYJ70 |
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InChI | InChI=1S/C10H12FNO/c1-2-12-7-10(13)8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3 |
InChIKey | KSIOQAICUJCYNJ-UHFFFAOYSA-N |
Mol Weight | 181.21 g/mol |
Molecular Formula | C10H12FNO |
Exact Mass | 181.090292 g/mol |
SpectraBase Spectrum ID | u3AAmGRiAr |
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Name | 2-Ethylamino-4'-fluoroacetophenone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 181.090292172 u |
Formula | C10H12FNO |
InChI | InChI=1S/C10H12FNO/c1-2-12-7-10(13)8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3 |
InChIKey | KSIOQAICUJCYNJ-UHFFFAOYSA-N |
Molecular Weight | 181.210 g/mol |
SMILES | C1(C(CNCC)=O)=CC=C(C=C1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914237 |