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Carbonic acid, monoamide, N-benzyl-N-nonyl-, isobutyl ester

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Carbonic acid, monoamide, N-benzyl-N-nonyl-, isobutyl ester
SpectraBase Compound ID 4IYNHAWlBqt
InChI InChI=1S/C21H35NO2/c1-4-5-6-7-8-9-13-16-22(21(23)24-18-19(2)3)17-20-14-11-10-12-15-20/h10-12,14-15,19H,4-9,13,16-18H2,1-3H3
InChIKey YLEGRLIAQPAZGG-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 LF43LxitObX
Name Carbonic acid, monoamide, N-benzyl-N-nonyl-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-4-5-6-7-8-9-13-16-22(21(23)24-18-19(2)3)17-20-14-11-10-12-15-20/h10-12,14-15,19H,4-9,13,16-18H2,1-3H3
InChIKey YLEGRLIAQPAZGG-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C(OCC(C)C)(=O)N(CCCCCCCCC)CC1=CC=CC=C1