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4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-isobutylbenzamide
SpectraBase Compound ID 4LRWr03ecGG
InChI InChI=1S/C21H25NO2/c1-15(2)13-22-21(23)18-8-6-16(7-9-18)14-24-20-11-10-17-4-3-5-19(17)12-20/h6-12,15H,3-5,13-14H2,1-2H3,(H,22,23)
InChIKey CXQSNIAXRHRARB-UHFFFAOYSA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EY1Z7l3nLj3
Name 4-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-N-isobutylbenzamide
Comments Computed using HOSE algorithm
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Exact Mass 323.188529047 u
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-15(2)13-22-21(23)18-8-6-16(7-9-18)14-24-20-11-10-17-4-3-5-19(17)12-20/h6-12,15H,3-5,13-14H2,1-2H3,(H,22,23)
InChIKey CXQSNIAXRHRARB-UHFFFAOYSA-N
Molecular Weight 323.436 g/mol
SMILES N(C(C1=CC=C(C=C1)COC1=CC=2CCCC2C=C1)=O)CC(C)C