For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Propanoic acid, 2-(acetylamino)-3,3,3-trifluoro-2-[(3-pyridinylmethyl)(4-pyridinylmethyl)amino]-, methyl ester
SpectraBase Compound ID Iyae4Rhjde7
InChI InChI=1S/C18H19F3N4O3/c1-13(26)24-17(16(27)28-2,18(19,20)21)25(11-14-5-8-22-9-6-14)12-15-4-3-7-23-10-15/h3-10H,11-12H2,1-2H3,(H,24,26)
InChIKey RMGAYFQZCNHYKT-UHFFFAOYSA-N
Mol Weight 396.37 g/mol
Molecular Formula C18H19F3N4O3
Exact Mass 396.140925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2cYKyB7PFgX
Name Propanoic acid, 2-(acetylamino)-3,3,3-trifluoro-2-[(3-pyridinylmethyl)(4-pyridinylmethyl)amino]-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19F3N4O3
InChI InChI=1S/C18H19F3N4O3/c1-13(26)24-17(16(27)28-2,18(19,20)21)25(11-14-5-8-22-9-6-14)12-15-4-3-7-23-10-15/h3-10H,11-12H2,1-2H3,(H,24,26)
InChIKey RMGAYFQZCNHYKT-UHFFFAOYSA-N
Molecular Weight 396.370 g/mol
SMILES N(C(N(Cc1cnccc1)Cc1ccncc1)(C(F)(F)F)C(=O)OC)C(=O)C
SPLASH splash10-0007-9420000000-b3f4ed816ea37c1a538b
Source of Spectrum IY-1-4593-2
Synonyms 2-Acetamido-3,3,3-trifluoro-2-[3-pyridinylmethyl(pyridin-4-ylmethyl)amino]propanoic acid methyl ester Methyl 2-acetamido-3,3,3-trifluoro-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]propanoate Methyl 2-acetamido-3,3,3-trifluoro-2-[3-pyridylmethyl(4-pyridylmethyl)amino]propanoate Methyl 2-acetamido-3,3,3-tris(fluoranyl)-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]propanoate
Wiley ID 1653915