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3-butoxy-N-[4-(isobutyrylamino)-3-methoxyphenyl]benzamide
SpectraBase Compound ID ADh0sQJ4pHO
InChI InChI=1S/C22H28N2O4/c1-5-6-12-28-18-9-7-8-16(13-18)22(26)23-17-10-11-19(20(14-17)27-4)24-21(25)15(2)3/h7-11,13-15H,5-6,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKey PSKIHASFDODULG-UHFFFAOYSA-N
Mol Weight 384.48 g/mol
Molecular Formula C22H28N2O4
Exact Mass 384.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BpFholUCvVk
Name 3-Butoxy-N-[4-(isobutyrylamino)-3-methoxyphenyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 384.204907386 u
Formula C22H28N2O4
InChI InChI=1S/C22H28N2O4/c1-5-6-12-28-18-9-7-8-16(13-18)22(26)23-17-10-11-19(20(14-17)27-4)24-21(25)15(2)3/h7-11,13-15H,5-6,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKey PSKIHASFDODULG-UHFFFAOYSA-N
Molecular Weight 384.476 g/mol
SMILES N(C(C=1C=C(OCCCC)C=CC1)=O)C=1C=CC(NC(=O)C(C)C)=C(C1)OC