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.beta.-Alanine, N-(4-methoxybenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(4-methoxybenzoyl)-, dodecyl ester
SpectraBase Compound ID Bo2KREyNxTr
InChI InChI=1S/C23H37NO4/c1-3-4-5-6-7-8-9-10-11-12-19-28-22(25)17-18-24-23(26)20-13-15-21(27-2)16-14-20/h13-16H,3-12,17-19H2,1-2H3,(H,24,26)
InChIKey DTLHWNILNUEFOO-UHFFFAOYSA-N
Mol Weight 391.6 g/mol
Molecular Formula C23H37NO4
Exact Mass 391.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4GQ1utYWrh
Name .beta.-Alanine, N-(4-methoxybenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.272258671 u
Formula C23H37NO4
InChI InChI=1S/C23H37NO4/c1-3-4-5-6-7-8-9-10-11-12-19-28-22(25)17-18-24-23(26)20-13-15-21(27-2)16-14-20/h13-16H,3-12,17-19H2,1-2H3,(H,24,26)
InChIKey DTLHWNILNUEFOO-UHFFFAOYSA-N
Molecular Weight 391.552 g/mol
SMILES C1=CC(=CC=C1C(NCCC(OCCCCCCCCCCCC)=O)=O)OC