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Stearic acid, 3-hydroxy-2-[[N-[N-boc]amino-N-boc]amino]-
SpectraBase Compound ID FpEV8OTeeYe
InChI InChI=1S/C30H58N2O7/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24(33)25(26(34)37-10-2)32(28(36)39-30(6,7)8)31-27(35)38-29(3,4)5/h24-25,33H,9-23H2,1-8H3,(H,31,35)
InChIKey UAIIXPRTLIDISR-UHFFFAOYSA-N
Mol Weight 558.8 g/mol
Molecular Formula C30H58N2O7
Exact Mass 558.424402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPITvrH6K6T
Name Stearic acid, 3-hydroxy-2-[[N-[N-boc]amino-N-boc]amino]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.424402209 u
Formula C30H58N2O7
InChI InChI=1S/C30H58N2O7/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24(33)25(26(34)37-10-2)32(28(36)39-30(6,7)8)31-27(35)38-29(3,4)5/h24-25,33H,9-23H2,1-8H3,(H,31,35)
InChIKey UAIIXPRTLIDISR-UHFFFAOYSA-N
Molecular Weight 558.801 g/mol
SMILES C(OC(C)(C)C)(NN(C(OC(C)(C)C)=O)C(C(=O)OCC)C(O)CCCCCCCCCCCCCCC)=O