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Carbonic acid, monoamide, N-benzyl-N-(3-methylbutyl)-, 2-ethylhexyl ester

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Carbonic acid, monoamide, N-benzyl-N-(3-methylbutyl)-, 2-ethylhexyl ester
SpectraBase Compound ID YHZ9mki4Y6
InChI InChI=1S/C21H35NO2/c1-5-7-11-19(6-2)17-24-21(23)22(15-14-18(3)4)16-20-12-9-8-10-13-20/h8-10,12-13,18-19H,5-7,11,14-17H2,1-4H3
InChIKey SJXQGXZCRJMCOZ-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 CIkVjJbkOC7
Name Carbonic acid, monoamide, N-benzyl-N-(3-methylbutyl)-, 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-5-7-11-19(6-2)17-24-21(23)22(15-14-18(3)4)16-20-12-9-8-10-13-20/h8-10,12-13,18-19H,5-7,11,14-17H2,1-4H3
InChIKey SJXQGXZCRJMCOZ-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C(N(CCC(C)C)CC1=CC=CC=C1)(=O)OCC(CCCC)CC