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Glutaric acid, monoamide, N-(1-phenylethyl)-, tetradecyl ester

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Glutaric acid, monoamide, N-(1-phenylethyl)-, tetradecyl ester
SpectraBase Compound ID BgSt4x9xOOZ
InChI InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-31-27(30)22-18-21-26(29)28-24(2)25-19-15-14-16-20-25/h14-16,19-20,24H,3-13,17-18,21-23H2,1-2H3,(H,28,29)
InChIKey BFLKRBWWPOAYMV-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C27H45NO3
Exact Mass 431.339944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDgLbcqoSnn
Name Glutaric acid, monoamide, N-(1-phenylethyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.339944310 u
Formula C27H45NO3
InChI InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-31-27(30)22-18-21-26(29)28-24(2)25-19-15-14-16-20-25/h14-16,19-20,24H,3-13,17-18,21-23H2,1-2H3,(H,28,29)
InChIKey BFLKRBWWPOAYMV-UHFFFAOYSA-N
Molecular Weight 431.661 g/mol
SMILES CC(NC(CCCC(OCCCCCCCCCCCCCC)=O)=O)C1=CC=CC=C1