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L-Isoleucine, N-(2-chloroethoxycarbonyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-(2-chloroethoxycarbonyl)-, tetradecyl ester
SpectraBase Compound ID 5a0slLEFtyO
InChI InChI=1S/C23H44ClNO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-28-22(26)21(20(3)5-2)25-23(27)29-19-17-24/h20-21H,4-19H2,1-3H3,(H,25,27)
InChIKey OAKGFEQSGXBQCJ-UHFFFAOYSA-N
Mol Weight 434.1 g/mol
Molecular Formula C23H44ClNO4
Exact Mass 433.295887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XpTzAoKB0z
Name L-Isoleucine, N-(2-chloroethoxycarbonyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.295886597 u
Formula C23H44ClNO4
InChI InChI=1S/C23H44ClNO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-28-22(26)21(20(3)5-2)25-23(27)29-19-17-24/h20-21H,4-19H2,1-3H3,(H,25,27)
InChIKey OAKGFEQSGXBQCJ-UHFFFAOYSA-N
Molecular Weight 434.061 g/mol
SMILES C(OC(C(NC(OCCCl)=O)C(C)CC)=O)CCCCCCCCCCCCC