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ile-ile, N-(N-Propyloxycarbonyl)-, methyl ester (isomer 2)
SpectraBase Compound ID IqqM0VD7zdT
InChI InChI=1S/C17H32N2O5/c1-7-10-24-17(22)19-13(11(4)8-2)15(20)18-14(12(5)9-3)16(21)23-6/h11-14H,7-10H2,1-6H3,(H,18,20)(H,19,22)
InChIKey BAEOSLVFPXLTFR-UHFFFAOYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C17H32N2O5
Exact Mass 344.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4sr7KXkLhyk
Name ile-ile, N-(N-Propyloxycarbonyl)-, methyl ester (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 344.231122133 u
Formula C17H32N2O5
InChI InChI=1S/C17H32N2O5/c1-7-10-24-17(22)19-13(11(4)8-2)15(20)18-14(12(5)9-3)16(21)23-6/h11-14H,7-10H2,1-6H3,(H,18,20)(H,19,22)
InChIKey BAEOSLVFPXLTFR-UHFFFAOYSA-N
Molecular Weight 344.452 g/mol
SMILES C(C(C(NC(C(CC)C)C(OC)=O)=O)NC(OCCC)=O)(CC)C