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Carbonic acid, monoamide, N-benzyl-N-pentyl-, 2-ethylhexyl ester
SpectraBase Compound ID 8GbpbaX65Ck
InChI InChI=1S/C21H35NO2/c1-4-7-12-16-22(17-20-14-10-9-11-15-20)21(23)24-18-19(6-3)13-8-5-2/h9-11,14-15,19H,4-8,12-13,16-18H2,1-3H3
InChIKey RHKHEOIHXRBQMI-UHFFFAOYSA-N
Mol Weight 333.5 g/mol
Molecular Formula C21H35NO2
Exact Mass 333.266779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17XGmLE6YWK
Name Carbonic acid, monoamide, N-benzyl-N-pentyl-, 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-4-7-12-16-22(17-20-14-10-9-11-15-20)21(23)24-18-19(6-3)13-8-5-2/h9-11,14-15,19H,4-8,12-13,16-18H2,1-3H3
InChIKey RHKHEOIHXRBQMI-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C(N(CCCCC)CC1=CC=CC=C1)(=O)OCC(CCCC)CC