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D-Prolyl-D-proline, N-(2-chloroethoxycarbonyl)-, isohexyl ester

View entire compound with spectra: 1 NMR

D-Prolyl-D-proline, N-(2-chloroethoxycarbonyl)-, isohexyl ester
SpectraBase Compound ID EVaNZ1Aaova
InChI InChI=1S/C19H31ClN2O5/c1-14(2)6-5-12-26-18(24)16-8-4-10-21(16)17(23)15-7-3-11-22(15)19(25)27-13-9-20/h14-16H,3-13H2,1-2H3
InChIKey IDMSQYNNOSEDFV-UHFFFAOYSA-N
Mol Weight 402.92 g/mol
Molecular Formula C19H31ClN2O5
Exact Mass 402.19215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1GvAoBgxbB
Name D-Prolyl-D-proline, N-(2-chloroethoxycarbonyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.192149801 u
Formula C19H31ClN2O5
InChI InChI=1S/C19H31ClN2O5/c1-14(2)6-5-12-26-18(24)16-8-4-10-21(16)17(23)15-7-3-11-22(15)19(25)27-13-9-20/h14-16H,3-13H2,1-2H3
InChIKey IDMSQYNNOSEDFV-UHFFFAOYSA-N
Molecular Weight 402.919 g/mol
SMILES C1(N(CCC1)C(=O)C1N(C(OCCCl)=O)CCC1)C(OCCCC(C)C)=O