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4-Methyl-3-(2-nitro-1-phenylethyl)-7-diethylaminocoumarin
SpectraBase Compound ID KvP5BuAVXHt
InChI InChI=1S/C22H24N2O4/c1-4-23(5-2)17-11-12-18-15(3)21(22(25)28-20(18)13-17)19(14-24(26)27)16-9-7-6-8-10-16/h6-13,19H,4-5,14H2,1-3H3
InChIKey LTKKYWZLJZISRH-UHFFFAOYSA-N
Mol Weight 380.44 g/mol
Molecular Formula C22H24N2O4
Exact Mass 380.173607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3aVKZgh2EPX
Name 4-Methyl-3-(2-nitro-1-phenylethyl)-7-diethylaminocoumarin
Comments Computed using HOSE algorithm
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Exact Mass 380.173607257 u
Formula C22H24N2O4
InChI InChI=1S/C22H24N2O4/c1-4-23(5-2)17-11-12-18-15(3)21(22(25)28-20(18)13-17)19(14-24(26)27)16-9-7-6-8-10-16/h6-13,19H,4-5,14H2,1-3H3
InChIKey LTKKYWZLJZISRH-UHFFFAOYSA-N
Molecular Weight 380.444 g/mol
SMILES C=1(C(OC2=C(C1C)C=CC(N(CC)CC)=C2)=O)C(CN(=O)=O)C=1C=CC=CC1