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L-Proline, N-(2-chlorobenzoyl)-, octyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-chlorobenzoyl)-, octyl ester
SpectraBase Compound ID 7ecDodW2Tm7
InChI InChI=1S/C20H28ClNO3/c1-2-3-4-5-6-9-15-25-20(24)18-13-10-14-22(18)19(23)16-11-7-8-12-17(16)21/h7-8,11-12,18H,2-6,9-10,13-15H2,1H3
InChIKey AONMDUFRANCOFF-UHFFFAOYSA-N
Mol Weight 365.9 g/mol
Molecular Formula C20H28ClNO3
Exact Mass 365.175771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gc5PZOBMmrN
Name L-Proline, N-(2-chlorobenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.175771463 u
Formula C20H28ClNO3
InChI InChI=1S/C20H28ClNO3/c1-2-3-4-5-6-9-15-25-20(24)18-13-10-14-22(18)19(23)16-11-7-8-12-17(16)21/h7-8,11-12,18H,2-6,9-10,13-15H2,1H3
InChIKey AONMDUFRANCOFF-UHFFFAOYSA-N
Molecular Weight 365.901 g/mol
SMILES C1(=C(C=CC=C1)C(N1CCCC1C(=O)OCCCCCCCC)=O)Cl