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

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L-Phenylalanine, N-(2-methoxyethoxycarbonyl)-, pentyl ester
SpectraBase Compound ID 6c8CWqfe9c7
InChI InChI=1S/C18H27NO5/c1-3-4-8-11-23-17(20)16(14-15-9-6-5-7-10-15)19-18(21)24-13-12-22-2/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3,(H,19,21)
InChIKey OQTOIHIPASUEFL-UHFFFAOYSA-N
Mol Weight 337.42 g/mol
Molecular Formula C18H27NO5
Exact Mass 337.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkwRyboR0Nk
Name L-Phenylalanine, N-(2-methoxyethoxycarbonyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 337.188922968 u
Formula C18H27NO5
InChI InChI=1S/C18H27NO5/c1-3-4-8-11-23-17(20)16(14-15-9-6-5-7-10-15)19-18(21)24-13-12-22-2/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3,(H,19,21)
InChIKey OQTOIHIPASUEFL-UHFFFAOYSA-N
Molecular Weight 337.416 g/mol
SMILES COCCOC(NC(C(OCCCCC)=O)CC1=CC=CC=C1)=O