SpectraBase Compound ID | 9nLY4YCMjZY |
---|---|
InChI | InChI=1S/C12H14F3NO/c1-9(16-11(17)12(13,14)15)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,17) |
InChIKey | MDBNHAHKSSMQME-UHFFFAOYSA-N |
Mol Weight | 245.25 g/mol |
Molecular Formula | C12H14F3NO |
Exact Mass | 245.102749 g/mol |
SpectraBase Spectrum ID | 3yjaWaijNMP |
---|---|
Name | 1-Methyl-3-phenylpropylamine, N-trifluoroacetyl- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 245.102748563 u |
Formula | C12H14F3NO |
InChI | InChI=1S/C12H14F3NO/c1-9(16-11(17)12(13,14)15)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,17) |
InChIKey | MDBNHAHKSSMQME-UHFFFAOYSA-N |
Molecular Weight | 245.245 g/mol |
SMILES | C1=C(C=CC=C1)CCC(NC(C(F)(F)F)=O)C |