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

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Phthalic acid, monoamide, N-isopropyl-, octyl ester
SpectraBase Compound ID 2jjpUTD5J4X
InChI InChI=1S/C19H29NO3/c1-4-5-6-7-8-11-14-23-19(22)17-13-10-9-12-16(17)18(21)20-15(2)3/h9-10,12-13,15H,4-8,11,14H2,1-3H3,(H,20,21)
InChIKey PHBTXHPAMSADIF-UHFFFAOYSA-N
Mol Weight 319.45 g/mol
Molecular Formula C19H29NO3
Exact Mass 319.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4BN0HoPZsqT
Name Phthalic acid, monoamide, N-isopropyl-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.214743795 u
Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-4-5-6-7-8-11-14-23-19(22)17-13-10-9-12-16(17)18(21)20-15(2)3/h9-10,12-13,15H,4-8,11,14H2,1-3H3,(H,20,21)
InChIKey PHBTXHPAMSADIF-UHFFFAOYSA-N
Molecular Weight 319.445 g/mol
SMILES C1(=C(C=CC=C1)C(NC(C)C)=O)C(OCCCCCCCC)=O