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Dimethyl 5-[(3-cyclopentylpropanoyl)amino]isophthalate

View entire compound with spectra: 2 NMR

Dimethyl 5-[(3-cyclopentylpropanoyl)amino]isophthalate
SpectraBase Compound ID KSP7zpj8VFE
InChI InChI=1S/C18H23NO5/c1-23-17(21)13-9-14(18(22)24-2)11-15(10-13)19-16(20)8-7-12-5-3-4-6-12/h9-12H,3-8H2,1-2H3,(H,19,20)
InChIKey XVJSYSIBEHMKIX-UHFFFAOYSA-N
Mol Weight 333.38 g/mol
Molecular Formula C18H23NO5
Exact Mass 333.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50L6mwGyjkC
Name Dimethyl 5-[(3-cyclopentylpropanoyl)amino]isophthalate
Comments Computed using HOSE algorithm
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Exact Mass 333.157622840 u
Formula C18H23NO5
InChI InChI=1S/C18H23NO5/c1-23-17(21)13-9-14(18(22)24-2)11-15(10-13)19-16(20)8-7-12-5-3-4-6-12/h9-12H,3-8H2,1-2H3,(H,19,20)
InChIKey XVJSYSIBEHMKIX-UHFFFAOYSA-N
Molecular Weight 333.384 g/mol
SMILES N(C1=CC(C(=O)OC)=CC(C(=O)OC)=C1)C(=O)CCC1CCCC1