SpectraBase Compound ID | F8vbuSiUPH |
---|---|
InChI | InChI=1S/C10H12F3NO/c1-7(14)6-8-2-4-9(5-3-8)15-10(11,12)13/h2-5,7H,6,14H2,1H3 |
InChIKey | JTRGYKXTKPEQKB-UHFFFAOYSA-N |
Mol Weight | 219.21 g/mol |
Molecular Formula | C10H12F3NO |
Exact Mass | 219.087098 g/mol |
SpectraBase Spectrum ID | UyRoXZzOXx |
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Name | 4-(Trifluoromethoxy)amphetamine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 219.087098498 u |
Formula | C10H12F3NO |
InChI | InChI=1S/C10H12F3NO/c1-7(14)6-8-2-4-9(5-3-8)15-10(11,12)13/h2-5,7H,6,14H2,1H3 |
InChIKey | JTRGYKXTKPEQKB-UHFFFAOYSA-N |
Molecular Weight | 219.207 g/mol |
SMILES | C=1(OC(F)(F)F)C=CC(CC(N)C)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.800038 |