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N-(4-sec-butylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide

View entire compound with spectra: 2 NMR

N-(4-sec-butylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
SpectraBase Compound ID 4lEuwWGzTgD
InChI InChI=1S/C20H19NO3/c1-3-13(2)14-8-10-16(11-9-14)21-19(22)18-12-15-6-4-5-7-17(15)20(23)24-18/h4-13H,3H2,1-2H3,(H,21,22)
InChIKey HWULAQLGOBYGGT-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBOSKLRptGR
Name N-(4-sec-Butylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 321.136493473 u
Formula C20H19NO3
InChI InChI=1S/C20H19NO3/c1-3-13(2)14-8-10-16(11-9-14)21-19(22)18-12-15-6-4-5-7-17(15)20(23)24-18/h4-13H,3H2,1-2H3,(H,21,22)
InChIKey HWULAQLGOBYGGT-UHFFFAOYSA-N
Molecular Weight 321.376 g/mol
SMILES N(C(C=1OC(=O)C=2C(C1)=CC=CC2)=O)C1=CC=C(C=C1)C(CC)C