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N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]pivalamide

View entire compound with spectra: 1 NMR, and 1 FTIR

N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]pivalamide
SpectraBase Compound ID DxHxMFDlVfd
InChI InChI=1S/C19H28N2O2/c1-14-9-5-6-10-15(14)13-21-12-8-7-11-16(17(21)22)20-18(23)19(2,3)4/h5-6,9-10,16H,7-8,11-13H2,1-4H3,(H,20,23)
InChIKey RNMHAXLQTPVQQN-UHFFFAOYSA-N
Mol Weight 316.45 g/mol
Molecular Formula C19H28N2O2
Exact Mass 316.215078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9SIHqPZnCiZ
Name N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]pivalamide
Comments Computed using HOSE algorithm
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Exact Mass 316.215078148 u
Formula C19H28N2O2
InChI InChI=1S/C19H28N2O2/c1-14-9-5-6-10-15(14)13-21-12-8-7-11-16(17(21)22)20-18(23)19(2,3)4/h5-6,9-10,16H,7-8,11-13H2,1-4H3,(H,20,23)
InChIKey RNMHAXLQTPVQQN-UHFFFAOYSA-N
Molecular Weight 316.445 g/mol
SMILES C(C(C)(C)C)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O