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Carbonic acid, monoamide, N-benzyl-N-dodecyl-, 2-ethylhexyl ester

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Carbonic acid, monoamide, N-benzyl-N-dodecyl-, 2-ethylhexyl ester
SpectraBase Compound ID 2n8A1htlH6K
InChI InChI=1S/C28H49NO2/c1-4-7-9-10-11-12-13-14-15-19-23-29(24-27-21-17-16-18-22-27)28(30)31-25-26(6-3)20-8-5-2/h16-18,21-22,26H,4-15,19-20,23-25H2,1-3H3
InChIKey LGKOAOWIOQAQKU-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C28H49NO2
Exact Mass 431.37633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HvIhdrUP2CK
Name Carbonic acid, monoamide, N-benzyl-N-dodecyl-, 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.376329820 u
Formula C28H49NO2
InChI InChI=1S/C28H49NO2/c1-4-7-9-10-11-12-13-14-15-19-23-29(24-27-21-17-16-18-22-27)28(30)31-25-26(6-3)20-8-5-2/h16-18,21-22,26H,4-15,19-20,23-25H2,1-3H3
InChIKey LGKOAOWIOQAQKU-UHFFFAOYSA-N
Molecular Weight 431.705 g/mol
SMILES C(N(CCCCCCCCCCCC)CC1=CC=CC=C1)(=O)OCC(CCCC)CC