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.beta.-Alanine, N-benzyloxycarbonyl-, undecyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-benzyloxycarbonyl-, undecyl ester
SpectraBase Compound ID GPGb9Z8SZVb
InChI InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-13-18-26-21(24)16-17-23-22(25)27-19-20-14-11-10-12-15-20/h10-12,14-15H,2-9,13,16-19H2,1H3,(H,23,25)
InChIKey SAMIUMJGIAZNDI-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsqR6VSx4sL
Name .beta.-Alanine, N-benzyloxycarbonyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-13-18-26-21(24)16-17-23-22(25)27-19-20-14-11-10-12-15-20/h10-12,14-15H,2-9,13,16-19H2,1H3,(H,23,25)
InChIKey SAMIUMJGIAZNDI-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES C1=CC=CC=C1COC(NCCC(OCCCCCCCCCCC)=O)=O