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Phthalic acid, monoamide, N-ethyl-N-phenyl-, isohexyl ester

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Phthalic acid, monoamide, N-ethyl-N-phenyl-, isohexyl ester
SpectraBase Compound ID HKr5cbA39Td
InChI InChI=1S/C22H27NO3/c1-4-23(18-12-6-5-7-13-18)21(24)19-14-8-9-15-20(19)22(25)26-16-10-11-17(2)3/h5-9,12-15,17H,4,10-11,16H2,1-3H3
InChIKey NYAIUDUBVYLXEJ-UHFFFAOYSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJDLvt2semP
Name Phthalic acid, monoamide, N-ethyl-N-phenyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 353.199093730 u
Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c1-4-23(18-12-6-5-7-13-18)21(24)19-14-8-9-15-20(19)22(25)26-16-10-11-17(2)3/h5-9,12-15,17H,4,10-11,16H2,1-3H3
InChIKey NYAIUDUBVYLXEJ-UHFFFAOYSA-N
Molecular Weight 353.462 g/mol
SMILES C1(=C(C=CC=C1)C(=O)N(CC)C1=CC=CC=C1)C(OCCCC(C)C)=O