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Alanylalanine, N,N'-dimethyl-N'-(2-chloroethoxycarbonyl)-, hexyl ester

View entire compound with spectra: 1 NMR

Alanylalanine, N,N'-dimethyl-N'-(2-chloroethoxycarbonyl)-, hexyl ester
SpectraBase Compound ID 2mJg4kO6MFj
InChI InChI=1S/C17H31ClN2O5/c1-6-7-8-9-11-24-16(22)14(3)19(4)15(21)13(2)20(5)17(23)25-12-10-18/h13-14H,6-12H2,1-5H3
InChIKey RWCOPUIFHVFQOY-UHFFFAOYSA-N
Mol Weight 378.9 g/mol
Molecular Formula C17H31ClN2O5
Exact Mass 378.19215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KS9bObU9Q92
Name Alanylalanine, N,N'-dimethyl-N'-(2-chloroethoxycarbonyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 378.192149801 u
Formula C17H31ClN2O5
InChI InChI=1S/C17H31ClN2O5/c1-6-7-8-9-11-24-16(22)14(3)19(4)15(21)13(2)20(5)17(23)25-12-10-18/h13-14H,6-12H2,1-5H3
InChIKey RWCOPUIFHVFQOY-UHFFFAOYSA-N
Molecular Weight 378.897 g/mol
SMILES CCCCCCOC(C(N(C(C(N(C(OCCCl)=O)C)C)=O)C)C)=O