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4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide
SpectraBase Compound ID 8dU5e8re2OP
InChI InChI=1S/C24H20F3NO2/c25-24(26,27)20-9-11-21(12-10-20)28-23(29)18-6-4-16(5-7-18)15-30-22-13-8-17-2-1-3-19(17)14-22/h4-14H,1-3,15H2,(H,28,29)
InChIKey XGUBRGFBVKYBNC-UHFFFAOYSA-N
Mol Weight 411.42 g/mol
Molecular Formula C24H20F3NO2
Exact Mass 411.144613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3P15Mn7MLV
Name 4-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-N-[4-(trifluoromethyl)phenyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 411.144613375 u
Formula C24H20F3NO2
InChI InChI=1S/C24H20F3NO2/c25-24(26,27)20-9-11-21(12-10-20)28-23(29)18-6-4-16(5-7-18)15-30-22-13-8-17-2-1-3-19(17)14-22/h4-14H,1-3,15H2,(H,28,29)
InChIKey XGUBRGFBVKYBNC-UHFFFAOYSA-N
Molecular Weight 411.424 g/mol
SMILES N(C(C=1C=CC(COC=2C=C3CCCC3=CC2)=CC1)=O)C=1C=CC(C(F)(F)F)=CC1