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L-Methionine, N-(2-chloroethoxycarbonyl)-, hexyl ester
SpectraBase Compound ID Cifh84nVDGi
InChI InChI=1S/C14H26ClNO4S/c1-3-4-5-6-9-19-13(17)12(7-11-21-2)16-14(18)20-10-8-15/h12H,3-11H2,1-2H3,(H,16,18)
InChIKey RAHWSFQSGLRWHJ-UHFFFAOYSA-N
Mol Weight 339.88 g/mol
Molecular Formula C14H26ClNO4S
Exact Mass 339.127107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BopUu8hVhDR
Name L-Methionine, N-(2-chloroethoxycarbonyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.127107191 u
Formula C14H26ClNO4S
InChI InChI=1S/C14H26ClNO4S/c1-3-4-5-6-9-19-13(17)12(7-11-21-2)16-14(18)20-10-8-15/h12H,3-11H2,1-2H3,(H,16,18)
InChIKey RAHWSFQSGLRWHJ-UHFFFAOYSA-N
Molecular Weight 339.878 g/mol
SMILES CCCCCCOC(C(NC(OCCCl)=O)CCSC)=O