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Isophthalic acid, monoamide, N,N-diisobutyl-, isohexyl ester

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Isophthalic acid, monoamide, N,N-diisobutyl-, isohexyl ester
SpectraBase Compound ID 94z7dHDukl5
InChI InChI=1S/C22H35NO3/c1-16(2)9-8-12-26-22(25)20-11-7-10-19(13-20)21(24)23(14-17(3)4)15-18(5)6/h7,10-11,13,16-18H,8-9,12,14-15H2,1-6H3
InChIKey INOODSYHEDROCB-UHFFFAOYSA-N
Mol Weight 361.5 g/mol
Molecular Formula C22H35NO3
Exact Mass 361.261694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bbd1AWAKCS9
Name Isophthalic acid, monoamide, N,N-diisobutyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 361.261693988 u
Formula C22H35NO3
InChI InChI=1S/C22H35NO3/c1-16(2)9-8-12-26-22(25)20-11-7-10-19(13-20)21(24)23(14-17(3)4)15-18(5)6/h7,10-11,13,16-18H,8-9,12,14-15H2,1-6H3
InChIKey INOODSYHEDROCB-UHFFFAOYSA-N
Molecular Weight 361.526 g/mol
SMILES C(N(C(C1=CC(=CC=C1)C(OCCCC(C)C)=O)=O)CC(C)C)C(C)C