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.beta.-Alanine, N-(2-methylbenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-(2-methylbenzoyl)-, decyl ester
SpectraBase Compound ID CYYUtaQNGeb
InChI InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-9-12-17-25-20(23)15-16-22-21(24)19-14-11-10-13-18(19)2/h10-11,13-14H,3-9,12,15-17H2,1-2H3,(H,22,24)
InChIKey UEXAUKGENHRHTB-UHFFFAOYSA-N
Mol Weight 347.5 g/mol
Molecular Formula C21H33NO3
Exact Mass 347.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D0R6RuAnaNB
Name .beta.-Alanine, N-(2-methylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 347.246043924 u
Formula C21H33NO3
InChI InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-9-12-17-25-20(23)15-16-22-21(24)19-14-11-10-13-18(19)2/h10-11,13-14H,3-9,12,15-17H2,1-2H3,(H,22,24)
InChIKey UEXAUKGENHRHTB-UHFFFAOYSA-N
Molecular Weight 347.499 g/mol
SMILES C1=C(C(=CC=C1)C(NCCC(OCCCCCCCCCC)=O)=O)C