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3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindol-2(3H)-yl)-N-(4-(trifluoromethoxy)phenyl)propanamide

View entire compound with spectra: 2 NMR

3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindol-2(3H)-yl)-N-(4-(trifluoromethoxy)phenyl)propanamide
SpectraBase Compound ID EX8Se5i9MS6
InChI InChI=1S/C20H19F3N2O4/c21-20(22,23)29-14-7-5-13(6-8-14)24-15(26)9-10-25-18(27)16-11-1-2-12(4-3-11)17(16)19(25)28/h1-2,5-8,11-12,16-17H,3-4,9-10H2,(H,24,26)
InChIKey FGUUZGKZEKOLRX-UHFFFAOYSA-N
Mol Weight 408.38 g/mol
Molecular Formula C20H19F3N2O4
Exact Mass 408.129692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30NSvg2wIOd
Name 3-(1,3-Dioxo-3A,4,7,7A-tetrahydro-1H-4,7-ethanoisoindol-2(3H)-yl)-N-(4-(trifluoromethoxy)phenyl)propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.129691585 u
Formula C20H19F3N2O4
InChI InChI=1S/C20H19F3N2O4/c21-20(22,23)29-14-7-5-13(6-8-14)24-15(26)9-10-25-18(27)16-11-1-2-12(4-3-11)17(16)19(25)28/h1-2,5-8,11-12,16-17H,3-4,9-10H2,(H,24,26)
InChIKey FGUUZGKZEKOLRX-UHFFFAOYSA-N
Molecular Weight 408.377 g/mol
SMILES N(C(CCN1C(C2C3C=CC(C2C1=O)CC3)=O)=O)C1=CC=C(OC(F)(F)F)C=C1