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L-Proline, N-(4-chlorobenzoyl)-, dodecyl ester
SpectraBase Compound ID FYKc3gN8Vfs
InChI InChI=1S/C24H36ClNO3/c1-2-3-4-5-6-7-8-9-10-11-19-29-24(28)22-13-12-18-26(22)23(27)20-14-16-21(25)17-15-20/h14-17,22H,2-13,18-19H2,1H3
InChIKey IXBGWFLTWIURRB-UHFFFAOYSA-N
Mol Weight 422.0 g/mol
Molecular Formula C24H36ClNO3
Exact Mass 421.238372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80OpxzoesR4
Name L-Proline, N-(4-chlorobenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 421.238371720 u
Formula C24H36ClNO3
InChI InChI=1S/C24H36ClNO3/c1-2-3-4-5-6-7-8-9-10-11-19-29-24(28)22-13-12-18-26(22)23(27)20-14-16-21(25)17-15-20/h14-17,22H,2-13,18-19H2,1H3
InChIKey IXBGWFLTWIURRB-UHFFFAOYSA-N
Molecular Weight 422.009 g/mol
SMILES C1C(N(C(=O)C2=CC=C(C=C2)Cl)CC1)C(=O)OCCCCCCCCCCCC