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

View entire compound with spectra: 1 NMR

Terephthalic acid, monoamide, N-cycloheptyl-, hexyl ester
SpectraBase Compound ID Gd3rPrp7Rvr
InChI InChI=1S/C21H31NO3/c1-2-3-4-9-16-25-21(24)18-14-12-17(13-15-18)20(23)22-19-10-7-5-6-8-11-19/h12-15,19H,2-11,16H2,1H3,(H,22,23)
InChIKey ABXHQROBOROQCL-UHFFFAOYSA-N
Mol Weight 345.48 g/mol
Molecular Formula C21H31NO3
Exact Mass 345.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMgiE8onVWn
Name Terephthalic acid, monoamide, N-cycloheptyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 345.230393859 u
Formula C21H31NO3
InChI InChI=1S/C21H31NO3/c1-2-3-4-9-16-25-21(24)18-14-12-17(13-15-18)20(23)22-19-10-7-5-6-8-11-19/h12-15,19H,2-11,16H2,1H3,(H,22,23)
InChIKey ABXHQROBOROQCL-UHFFFAOYSA-N
Molecular Weight 345.483 g/mol
SMILES C1(CCCCCC1)NC(=O)C1=CC=C(C=C1)C(=O)OCCCCCC