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

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Isophthalic acid, monoamide, N-(2-ethylhexyl)-, nonyl ester
SpectraBase Compound ID CNGIE8PXHC4
InChI InChI=1S/C25H41NO3/c1-4-7-9-10-11-12-13-18-29-25(28)23-17-14-16-22(19-23)24(27)26-20-21(6-3)15-8-5-2/h14,16-17,19,21H,4-13,15,18,20H2,1-3H3,(H,26,27)
InChIKey GELHSZURGOKUJM-UHFFFAOYSA-N
Mol Weight 403.6 g/mol
Molecular Formula C25H41NO3
Exact Mass 403.308644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RIWFh5bEEh
Name Isophthalic acid, monoamide, N-(2-ethylhexyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 403.308644181 u
Formula C25H41NO3
InChI InChI=1S/C25H41NO3/c1-4-7-9-10-11-12-13-18-29-25(28)23-17-14-16-22(19-23)24(27)26-20-21(6-3)15-8-5-2/h14,16-17,19,21H,4-13,15,18,20H2,1-3H3,(H,26,27)
InChIKey GELHSZURGOKUJM-UHFFFAOYSA-N
Molecular Weight 403.607 g/mol
SMILES C(C1=CC(=CC=C1)C(NCC(CCCC)CC)=O)(OCCCCCCCCC)=O