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Carbonic acid, monoamide, N-(2-phenylethyl)-N-isobutyl-, 2-ethylhexyl ester

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Carbonic acid, monoamide, N-(2-phenylethyl)-N-isobutyl-, 2-ethylhexyl ester
SpectraBase Compound ID EL1TKUa1uM0
InChI InChI=1S/C21H35NO2/c1-5-7-11-19(6-2)17-24-21(23)22(16-18(3)4)15-14-20-12-9-8-10-13-20/h8-10,12-13,18-19H,5-7,11,14-17H2,1-4H3
InChIKey SVDYPMZSFQFUQR-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 85EijX4Ad1H
Name Carbonic acid, monoamide, N-(2-phenylethyl)-N-isobutyl-, 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-5-7-11-19(6-2)17-24-21(23)22(16-18(3)4)15-14-20-12-9-8-10-13-20/h8-10,12-13,18-19H,5-7,11,14-17H2,1-4H3
InChIKey SVDYPMZSFQFUQR-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)OCC(CC)CCCC)CC(C)C