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Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isobutyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isobutyl ester
SpectraBase Compound ID D1CS76KQ4l1
InChI InChI=1S/C18H18ClNO3/c1-12(2)11-23-18(22)14-7-5-6-13(10-14)17(21)20-16-9-4-3-8-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKey OWPLWPNWUAQDPP-UHFFFAOYSA-N
Mol Weight 331.8 g/mol
Molecular Formula C18H18ClNO3
Exact Mass 331.097521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DnXJNrtIXKp
Name Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 331.097521141 u
Formula C18H18ClNO3
InChI InChI=1S/C18H18ClNO3/c1-12(2)11-23-18(22)14-7-5-6-13(10-14)17(21)20-16-9-4-3-8-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKey OWPLWPNWUAQDPP-UHFFFAOYSA-N
Molecular Weight 331.799 g/mol
SMILES CC(C)COC(C1=CC(=CC=C1)C(NC1=CC=CC=C1Cl)=O)=O