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3-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-N-(2-(trifluoromethyl)phenyl)propanamide

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3-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-N-(2-(trifluoromethyl)phenyl)propanamide
SpectraBase Compound ID 10f8xZrydQg
InChI InChI=1S/C19H19F3N2O3/c20-19(21,22)12-3-1-2-4-13(12)23-14(25)7-8-24-17(26)15-10-5-6-11(9-10)16(15)18(24)27/h1-4,10-11,15-16H,5-9H2,(H,23,25)
InChIKey HIMOTPAEFIRMHB-UHFFFAOYSA-N
Mol Weight 380.37 g/mol
Molecular Formula C19H19F3N2O3
Exact Mass 380.134777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID COi5EJHmC3A
Name 3-(1,3-Dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-N-(2-(trifluoromethyl)phenyl)propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.134776966 u
Formula C19H19F3N2O3
InChI InChI=1S/C19H19F3N2O3/c20-19(21,22)12-3-1-2-4-13(12)23-14(25)7-8-24-17(26)15-10-5-6-11(9-10)16(15)18(24)27/h1-4,10-11,15-16H,5-9H2,(H,23,25)
InChIKey HIMOTPAEFIRMHB-UHFFFAOYSA-N
Molecular Weight 380.367 g/mol
SMILES N(C1=C(C(F)(F)F)C=CC=C1)C(CCN1C(C2C3CCC(C2C1=O)C3)=O)=O