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L-Leucine, N-(2-chlorobenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-chlorobenzoyl)-, tetradecyl ester
SpectraBase Compound ID Bxrt4Tw7INh
InChI InChI=1S/C27H44ClNO3/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-32-27(31)25(21-22(2)3)29-26(30)23-18-15-16-19-24(23)28/h15-16,18-19,22,25H,4-14,17,20-21H2,1-3H3,(H,29,30)
InChIKey TUEBPDNBVOGOLF-UHFFFAOYSA-N
Mol Weight 466.1 g/mol
Molecular Formula C27H44ClNO3
Exact Mass 465.300972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FXTLwXkmJUa
Name L-Leucine, N-(2-chlorobenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 465.300971978 u
Formula C27H44ClNO3
InChI InChI=1S/C27H44ClNO3/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-32-27(31)25(21-22(2)3)29-26(30)23-18-15-16-19-24(23)28/h15-16,18-19,22,25H,4-14,17,20-21H2,1-3H3,(H,29,30)
InChIKey TUEBPDNBVOGOLF-UHFFFAOYSA-N
Molecular Weight 466.106 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCC)=O)CC(C)C)=O)Cl