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L-Proline, N-(3-phenylpropionyl)-, octyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-phenylpropionyl)-, octyl ester
SpectraBase Compound ID 21wAbSLsUNM
InChI InChI=1S/C22H33NO3/c1-2-3-4-5-6-10-18-26-22(25)20-14-11-17-23(20)21(24)16-15-19-12-8-7-9-13-19/h7-9,12-13,20H,2-6,10-11,14-18H2,1H3
InChIKey RGKVODVDVZXQER-UHFFFAOYSA-N
Mol Weight 359.5 g/mol
Molecular Formula C22H33NO3
Exact Mass 359.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ISwM3IM5VlS
Name L-Proline, N-(3-phenylpropionyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 359.246043924 u
Formula C22H33NO3
InChI InChI=1S/C22H33NO3/c1-2-3-4-5-6-10-18-26-22(25)20-14-11-17-23(20)21(24)16-15-19-12-8-7-9-13-19/h7-9,12-13,20H,2-6,10-11,14-18H2,1H3
InChIKey RGKVODVDVZXQER-UHFFFAOYSA-N
Molecular Weight 359.510 g/mol
SMILES C1=C(C=CC=C1)CCC(N1CCCC1C(=O)OCCCCCCCC)=O