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

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Isophthalic acid, monoamide, N-(3-methylphenyl)-, propyl ester
SpectraBase Compound ID KfJpDcyZ0QU
InChI InChI=1S/C18H19NO3/c1-3-10-22-18(21)15-8-5-7-14(12-15)17(20)19-16-9-4-6-13(2)11-16/h4-9,11-12H,3,10H2,1-2H3,(H,19,20)
InChIKey IOBHQTOILXZSKW-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3P4fNWmvnwa
Name Isophthalic acid, monoamide, N-(3-methylphenyl)-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 297.136493473 u
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-3-10-22-18(21)15-8-5-7-14(12-15)17(20)19-16-9-4-6-13(2)11-16/h4-9,11-12H,3,10H2,1-2H3,(H,19,20)
InChIKey IOBHQTOILXZSKW-UHFFFAOYSA-N
Molecular Weight 297.354 g/mol
SMILES C1=C(C=C(C=C1)C)NC(C1=CC(=CC=C1)C(OCCC)=O)=O