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ile-ile, N-(N-Propyloxycarbonyl)-, N-propyl ester (isomer 2)
SpectraBase Compound ID ST9li5L2pf
InChI InChI=1S/C19H36N2O5/c1-7-11-25-18(23)16(14(6)10-4)20-17(22)15(13(5)9-3)21-19(24)26-12-8-2/h13-16H,7-12H2,1-6H3,(H,20,22)(H,21,24)
InChIKey WFHVQFJQPVBVJI-UHFFFAOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C19H36N2O5
Exact Mass 372.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1brSp6rNBXm
Name ile-ile, N-(N-Propyloxycarbonyl)-, N-propyl ester (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 372.262422262 u
Formula C19H36N2O5
InChI InChI=1S/C19H36N2O5/c1-7-11-25-18(23)16(14(6)10-4)20-17(22)15(13(5)9-3)21-19(24)26-12-8-2/h13-16H,7-12H2,1-6H3,(H,20,22)(H,21,24)
InChIKey WFHVQFJQPVBVJI-UHFFFAOYSA-N
Molecular Weight 372.506 g/mol
SMILES C(C(C(NC(C(CC)C)C(OCCC)=O)=O)NC(OCCC)=O)(CC)C