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.beta.-Alanine, N-(3-methoxybenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(3-methoxybenzoyl)-, decyl ester
SpectraBase Compound ID 7jdi61Z0mar
InChI InChI=1S/C21H33NO4/c1-3-4-5-6-7-8-9-10-16-26-20(23)14-15-22-21(24)18-12-11-13-19(17-18)25-2/h11-13,17H,3-10,14-16H2,1-2H3,(H,22,24)
InChIKey VVNBQIGDUHKOFB-UHFFFAOYSA-N
Mol Weight 363.5 g/mol
Molecular Formula C21H33NO4
Exact Mass 363.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ixtpa0y06SH
Name .beta.-Alanine, N-(3-methoxybenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.240958543 u
Formula C21H33NO4
InChI InChI=1S/C21H33NO4/c1-3-4-5-6-7-8-9-10-16-26-20(23)14-15-22-21(24)18-12-11-13-19(17-18)25-2/h11-13,17H,3-10,14-16H2,1-2H3,(H,22,24)
InChIKey VVNBQIGDUHKOFB-UHFFFAOYSA-N
Molecular Weight 363.498 g/mol
SMILES C1=C(C=CC=C1C(NCCC(OCCCCCCCCCC)=O)=O)OC