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L-Proline, N-(phenylacetyl)-, dodecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Proline, N-(phenylacetyl)-, dodecyl ester
SpectraBase Compound ID 9L5Umz4Eiw2
InChI InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-9-10-14-20-29-25(28)23-18-15-19-26(23)24(27)21-22-16-12-11-13-17-22/h11-13,16-17,23H,2-10,14-15,18-21H2,1H3
InChIKey CFVWXFMMLUEFBE-UHFFFAOYSA-N
Mol Weight 401.6 g/mol
Molecular Formula C25H39NO3
Exact Mass 401.292994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fq3FolqEsns
Name L-Proline, N-(phenylacetyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 401.292994117 u
Formula C25H39NO3
InChI InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-9-10-14-20-29-25(28)23-18-15-19-26(23)24(27)21-22-16-12-11-13-17-22/h11-13,16-17,23H,2-10,14-15,18-21H2,1H3
InChIKey CFVWXFMMLUEFBE-UHFFFAOYSA-N
Molecular Weight 401.591 g/mol
SMILES C1(=CC=CC=C1)CC(N1CCCC1C(=O)OCCCCCCCCCCCC)=O