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N-{4-[(3-butoxybenzoyl)amino]-2-chlorophenyl}-2-furamide
SpectraBase Compound ID Ah7JIPurJWy
InChI InChI=1S/C22H21ClN2O4/c1-2-3-11-28-17-7-4-6-15(13-17)21(26)24-16-9-10-19(18(23)14-16)25-22(27)20-8-5-12-29-20/h4-10,12-14H,2-3,11H2,1H3,(H,24,26)(H,25,27)
InChIKey XVTNSDWZJSQBKC-UHFFFAOYSA-N
Mol Weight 412.87 g/mol
Molecular Formula C22H21ClN2O4
Exact Mass 412.118985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLr42raK1Qn
Name N-{4-[(3-Butoxybenzoyl)amino]-2-chlorophenyl}-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 412.118984860 u
Formula C22H21ClN2O4
InChI InChI=1S/C22H21ClN2O4/c1-2-3-11-28-17-7-4-6-15(13-17)21(26)24-16-9-10-19(18(23)14-16)25-22(27)20-8-5-12-29-20/h4-10,12-14H,2-3,11H2,1H3,(H,24,26)(H,25,27)
InChIKey XVTNSDWZJSQBKC-UHFFFAOYSA-N
Molecular Weight 412.873 g/mol
SMILES N(C(C=1OC=CC1)=O)C1=CC=C(NC(C2=CC(OCCCC)=CC=C2)=O)C=C1Cl