SpectraBase Compound ID | KbBeA5iv63r |
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InChI | InChI=1S/C11H16FNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 |
InChIKey | NRANUECGGQVXOT-UHFFFAOYSA-N |
Mol Weight | 213.25 g/mol |
Molecular Formula | C11H16FNO2 |
Exact Mass | 213.116507 g/mol |
SpectraBase Spectrum ID | IaG96L9kBVm |
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Name | dof |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 213.116506920 u |
Formula | C11H16FNO2 |
InChI | InChI=1S/C11H16FNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 |
InChIKey | NRANUECGGQVXOT-UHFFFAOYSA-N |
Molecular Weight | 213.252 g/mol |
SMILES | C1=C(C(=CC(=C1F)OC)CC(C)N)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94625 |