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ala-thr, N-(N-Propyloxycarbonyl)-, N-propyl ester (isomer 2)

View entire compound with spectra: 1 NMR

ala-thr, N-(N-Propyloxycarbonyl)-, N-propyl ester (isomer 2)
SpectraBase Compound ID 4qel9Q6qM22
InChI InChI=1S/C14H26N2O6/c1-5-7-21-13(19)11(10(4)17)16-12(18)9(3)15-14(20)22-8-6-2/h9-11,17H,5-8H2,1-4H3,(H,15,20)(H,16,18)
InChIKey SKXHMKHTQNZJLQ-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C14H26N2O6
Exact Mass 318.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bu2RGZcKGiX
Name ala-thr, N-(N-Propyloxycarbonyl)-, N-propyl ester (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 318.179086559 u
Formula C14H26N2O6
InChI InChI=1S/C14H26N2O6/c1-5-7-21-13(19)11(10(4)17)16-12(18)9(3)15-14(20)22-8-6-2/h9-11,17H,5-8H2,1-4H3,(H,15,20)(H,16,18)
InChIKey SKXHMKHTQNZJLQ-UHFFFAOYSA-N
Molecular Weight 318.370 g/mol
SMILES C(=O)(C(C)NC(OCCC)=O)NC(C(O)C)C(OCCC)=O