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

View entire compound with spectra: 1 NMR

L-Isoleucine, N-(2-chloroethoxycarbonyl)-, pentadecyl ester
SpectraBase Compound ID 2IcM6dZWln2
InChI InChI=1S/C24H46ClNO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-29-23(27)22(21(3)5-2)26-24(28)30-20-18-25/h21-22H,4-20H2,1-3H3,(H,26,28)
InChIKey VMWZXDYHVHWJHJ-UHFFFAOYSA-N
Mol Weight 448.1 g/mol
Molecular Formula C24H46ClNO4
Exact Mass 447.311537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vu7ofPP5nK
Name L-Isoleucine, N-(2-chloroethoxycarbonyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.311536661 u
Formula C24H46ClNO4
InChI InChI=1S/C24H46ClNO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-29-23(27)22(21(3)5-2)26-24(28)30-20-18-25/h21-22H,4-20H2,1-3H3,(H,26,28)
InChIKey VMWZXDYHVHWJHJ-UHFFFAOYSA-N
Molecular Weight 448.088 g/mol
SMILES C(CCOC(C(NC(OCCCl)=O)C(C)CC)=O)CCCCCCCCCCCC