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Carbonic acid, monoamide, N-benzyl-N-tetradecyl-, but-3-yn-1-yl ester

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Carbonic acid, monoamide, N-benzyl-N-tetradecyl-, but-3-yn-1-yl ester
SpectraBase Compound ID 1LlUEY1GUkY
InChI InChI=1S/C26H41NO2/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-27(26(28)29-23-6-4-2)24-25-20-17-16-18-21-25/h2,16-18,20-21H,3,5-15,19,22-24H2,1H3
InChIKey KWJCIJZAQXFEPC-UHFFFAOYSA-N
Mol Weight 399.6 g/mol
Molecular Formula C26H41NO2
Exact Mass 399.31373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1EA3THrNcn8
Name Carbonic acid, monoamide, N-benzyl-N-tetradecyl-, but-3-yn-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.313729562 u
Formula C26H41NO2
InChI InChI=1S/C26H41NO2/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-27(26(28)29-23-6-4-2)24-25-20-17-16-18-21-25/h2,16-18,20-21H,3,5-15,19,22-24H2,1H3
InChIKey KWJCIJZAQXFEPC-UHFFFAOYSA-N
Molecular Weight 399.619 g/mol
SMILES C(N(CCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)OCCC#C