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Terephthalic acid, monoamide, N-cycloheptyl-, pentyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, monoamide, N-cycloheptyl-, pentyl ester
SpectraBase Compound ID K5FHlI5FHnM
InChI InChI=1S/C20H29NO3/c1-2-3-8-15-24-20(23)17-13-11-16(12-14-17)19(22)21-18-9-6-4-5-7-10-18/h11-14,18H,2-10,15H2,1H3,(H,21,22)
InChIKey IRYDVEYPUYRUTN-UHFFFAOYSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GP9r18MkI3v
Name Terephthalic acid, monoamide, N-cycloheptyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 331.214743795 u
Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-2-3-8-15-24-20(23)17-13-11-16(12-14-17)19(22)21-18-9-6-4-5-7-10-18/h11-14,18H,2-10,15H2,1H3,(H,21,22)
InChIKey IRYDVEYPUYRUTN-UHFFFAOYSA-N
Molecular Weight 331.456 g/mol
SMILES C(NC1CCCCCC1)(=O)C1=CC=C(C=C1)C(=O)OCCCCC