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Isophthalic acid, monoamide, N-(3-methylphenyl)-, isobutyl ester

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Isophthalic acid, monoamide, N-(3-methylphenyl)-, isobutyl ester
SpectraBase Compound ID CX0AdrbvKuf
InChI InChI=1S/C19H21NO3/c1-13(2)12-23-19(22)16-8-5-7-15(11-16)18(21)20-17-9-4-6-14(3)10-17/h4-11,13H,12H2,1-3H3,(H,20,21)
InChIKey OJYCLADVRIHJAK-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LfuciRIujF8
Name Isophthalic acid, monoamide, N-(3-methylphenyl)-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 311.152143537 u
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-13(2)12-23-19(22)16-8-5-7-15(11-16)18(21)20-17-9-4-6-14(3)10-17/h4-11,13H,12H2,1-3H3,(H,20,21)
InChIKey OJYCLADVRIHJAK-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES C1=C(C=C(C=C1)C)NC(C1=CC(=CC=C1)C(OCC(C)C)=O)=O