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Octadecan-1,3-diol, 2-[[N-T-butoxycarbonyl-N-T-butoxycarbonylamino]amino]-
SpectraBase Compound ID ILQap2Y2f5r
InChI InChI=1S/C28H56N2O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(32)23(22-31)30(26(34)36-28(5,6)7)29-25(33)35-27(2,3)4/h23-24,31-32H,8-22H2,1-7H3,(H,29,33)
InChIKey YVBNXWNKZUQGKR-UHFFFAOYSA-N
Mol Weight 516.8 g/mol
Molecular Formula C28H56N2O6
Exact Mass 516.413838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBrb9SIlkNo
Name Octadecan-1,3-diol, 2-[[N-T-butoxycarbonyl-N-T-butoxycarbonylamino]amino]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.413837525 u
Formula C28H56N2O6
InChI InChI=1S/C28H56N2O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(32)23(22-31)30(26(34)36-28(5,6)7)29-25(33)35-27(2,3)4/h23-24,31-32H,8-22H2,1-7H3,(H,29,33)
InChIKey YVBNXWNKZUQGKR-UHFFFAOYSA-N
Molecular Weight 516.764 g/mol
SMILES C(OC(C)(C)C)(NN(C(OC(C)(C)C)=O)C(CO)C(O)CCCCCCCCCCCCCCC)=O