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dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, nonyl ester

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dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, nonyl ester
SpectraBase Compound ID 7rJTqKdDuhM
InChI InChI=1S/C21H39ClN2O5/c1-6-7-8-9-10-11-12-15-28-20(26)18(3)23(4)19(25)17(2)24(5)21(27)29-16-13-14-22/h17-18H,6-16H2,1-5H3
InChIKey RITFJYUFJFEZJH-UHFFFAOYSA-N
Mol Weight 435.0 g/mol
Molecular Formula C21H39ClN2O5
Exact Mass 434.25475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sNO8Cylkxw
Name dl-Alanyl-dl-alanine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.254750059 u
Formula C21H39ClN2O5
InChI InChI=1S/C21H39ClN2O5/c1-6-7-8-9-10-11-12-15-28-20(26)18(3)23(4)19(25)17(2)24(5)21(27)29-16-13-14-22/h17-18H,6-16H2,1-5H3
InChIKey RITFJYUFJFEZJH-UHFFFAOYSA-N
Molecular Weight 435.005 g/mol
SMILES CN(C(C(=O)OCCCCCCCCC)C)C(C(N(C)C(=O)OCCCCl)C)=O