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N-Carbamyl isoleucine, dihydroartemisininyl ester
SpectraBase Compound ID 8szDX2TVtNp
InChI InChI=1S/C22H36N2O7/c1-6-11(2)16(24-20(23)26)17(25)27-18-13(4)15-8-7-12(3)14-9-10-21(5)29-19(28-18)22(14,15)31-30-21/h11-16,18-19H,6-10H2,1-5H3,(H3,23,24,26)
InChIKey HZYYUQSQNYYNQZ-UHFFFAOYSA-N
Mol Weight 440.5 g/mol
Molecular Formula C22H36N2O7
Exact Mass 440.252252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8B7dXMQPjN
Name N-Carbamyl isoleucine, dihydroartemisininyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.252251500 u
Formula C22H36N2O7
InChI InChI=1S/C22H36N2O7/c1-6-11(2)16(24-20(23)26)17(25)27-18-13(4)15-8-7-12(3)14-9-10-21(5)29-19(28-18)22(14,15)31-30-21/h11-16,18-19H,6-10H2,1-5H3,(H3,23,24,26)
InChIKey HZYYUQSQNYYNQZ-UHFFFAOYSA-N
Molecular Weight 440.537 g/mol
SMILES C1CC2C34C(OC1(C)OO4)OC(OC(C(C(CC)C)NC(=O)N)=O)C(C3CCC2C)C