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Isophthalic acid, monoamide, N-(2-ethylhexyl)-, propyl ester
SpectraBase Compound ID Eh6BYJbh63P
InChI InChI=1S/C19H29NO3/c1-4-7-9-15(6-3)14-20-18(21)16-10-8-11-17(13-16)19(22)23-12-5-2/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3,(H,20,21)
InChIKey QVGYMELIPQEEGU-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 5T00vfy369t
Name Isophthalic acid, monoamide, N-(2-ethylhexyl)-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 319.214743795 u
Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-4-7-9-15(6-3)14-20-18(21)16-10-8-11-17(13-16)19(22)23-12-5-2/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3,(H,20,21)
InChIKey QVGYMELIPQEEGU-UHFFFAOYSA-N
Molecular Weight 319.445 g/mol
SMILES C1(=CC(=CC=C1)C(NCC(CCCC)CC)=O)C(OCCC)=O