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Phthalic acid, monoamide, N-isopropyl-, nonyl ester

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Phthalic acid, monoamide, N-isopropyl-, nonyl ester
SpectraBase Compound ID 4S5X6MJNwDs
InChI InChI=1S/C20H31NO3/c1-4-5-6-7-8-9-12-15-24-20(23)18-14-11-10-13-17(18)19(22)21-16(2)3/h10-11,13-14,16H,4-9,12,15H2,1-3H3,(H,21,22)
InChIKey GLSNWBUECCGMJH-UHFFFAOYSA-N
Mol Weight 333.47 g/mol
Molecular Formula C20H31NO3
Exact Mass 333.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlIGQ1ktErn
Name Phthalic acid, monoamide, N-isopropyl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 333.230393859 u
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-4-5-6-7-8-9-12-15-24-20(23)18-14-11-10-13-17(18)19(22)21-16(2)3/h10-11,13-14,16H,4-9,12,15H2,1-3H3,(H,21,22)
InChIKey GLSNWBUECCGMJH-UHFFFAOYSA-N
Molecular Weight 333.472 g/mol
SMILES C1(=C(C=CC=C1)C(NC(C)C)=O)C(OCCCCCCCCC)=O