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L-Phenylalanine, N-(2-methoxyethoxycarbonyl)-, decyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-(2-methoxyethoxycarbonyl)-, decyl ester
SpectraBase Compound ID BBaSY85CQgV
InChI InChI=1S/C23H37NO5/c1-3-4-5-6-7-8-9-13-16-28-22(25)21(19-20-14-11-10-12-15-20)24-23(26)29-18-17-27-2/h10-12,14-15,21H,3-9,13,16-19H2,1-2H3,(H,24,26)
InChIKey UACLDLCQVHAQDW-UHFFFAOYSA-N
Mol Weight 407.6 g/mol
Molecular Formula C23H37NO5
Exact Mass 407.267173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PgiiMevW9L
Name L-Phenylalanine, N-(2-methoxyethoxycarbonyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.267173290 u
Formula C23H37NO5
InChI InChI=1S/C23H37NO5/c1-3-4-5-6-7-8-9-13-16-28-22(25)21(19-20-14-11-10-12-15-20)24-23(26)29-18-17-27-2/h10-12,14-15,21H,3-9,13,16-19H2,1-2H3,(H,24,26)
InChIKey UACLDLCQVHAQDW-UHFFFAOYSA-N
Molecular Weight 407.551 g/mol
SMILES COCCOC(NC(C(OCCCCCCCCCC)=O)CC1=CC=CC=C1)=O