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N-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide

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N-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID GbxevIdBNOi
InChI InChI=1S/C19H15ClN2O4/c1-11-17(18(22-26-11)13-4-2-3-5-14(13)20)19(23)21-9-12-6-7-15-16(8-12)25-10-24-15/h2-8H,9-10H2,1H3,(H,21,23)
InChIKey ZJKLWWOJFZOPJG-UHFFFAOYSA-N
Mol Weight 370.79 g/mol
Molecular Formula C19H15ClN2O4
Exact Mass 370.072035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3945KNUcZmc
Name N-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 370.072034667 u
Formula C19H15ClN2O4
InChI InChI=1S/C19H15ClN2O4/c1-11-17(18(22-26-11)13-4-2-3-5-14(13)20)19(23)21-9-12-6-7-15-16(8-12)25-10-24-15/h2-8H,9-10H2,1H3,(H,21,23)
InChIKey ZJKLWWOJFZOPJG-UHFFFAOYSA-N
Molecular Weight 370.792 g/mol
SMILES C1(C2=CC=CC=C2Cl)=NOC(=C1C(=O)NCC1=CC=C2C(=C1)OCO2)C