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Isophthalic acid, monoamide, N-(2-ethylhexyl)-, pentyl ester

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Isophthalic acid, monoamide, N-(2-ethylhexyl)-, pentyl ester
SpectraBase Compound ID 1K0t5kzxu6t
InChI InChI=1S/C21H33NO3/c1-4-7-9-14-25-21(24)19-13-10-12-18(15-19)20(23)22-16-17(6-3)11-8-5-2/h10,12-13,15,17H,4-9,11,14,16H2,1-3H3,(H,22,23)
InChIKey TXRLEXHCUIISOB-UHFFFAOYSA-N
Mol Weight 347.5 g/mol
Molecular Formula C21H33NO3
Exact Mass 347.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8huffPc7dE
Name Isophthalic acid, monoamide, N-(2-ethylhexyl)-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.246043924 u
Formula C21H33NO3
InChI InChI=1S/C21H33NO3/c1-4-7-9-14-25-21(24)19-13-10-12-18(15-19)20(23)22-16-17(6-3)11-8-5-2/h10,12-13,15,17H,4-9,11,14,16H2,1-3H3,(H,22,23)
InChIKey TXRLEXHCUIISOB-UHFFFAOYSA-N
Molecular Weight 347.499 g/mol
SMILES C1(=CC(=CC=C1)C(NCC(CCCC)CC)=O)C(OCCCCC)=O