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(2S,3R)-2-(tert-Butoxycarbonylamino)-3-(dodec-1-enylphenyl)propane-1,3-diol
SpectraBase Compound ID AHDGzRnFL84
InChI InChI=1S/C26H43NO4/c1-5-6-7-8-9-10-11-12-13-14-17-21-18-15-16-19-22(21)24(29)23(20-28)27-25(30)31-26(2,3)4/h14-19,23-24,28-29H,5-13,20H2,1-4H3,(H,27,30)/b17-14+/t23-,24+/m0/s1
InChIKey CPXCHNAZJDHRKZ-GWXORZSJSA-N
Mol Weight 433.6 g/mol
Molecular Formula C26H43NO4
Exact Mass 433.319209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APQd4sZ8fh5
Name (2S,3R)-2-(tert-Butoxycarbonylamino)-3-(dodec-1-enylphenyl)propane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H43NO4
InChI InChI=1S/C26H43NO4/c1-5-6-7-8-9-10-11-12-13-14-17-21-18-15-16-19-22(21)24(29)23(20-28)27-25(30)31-26(2,3)4/h14-19,23-24,28-29H,5-13,20H2,1-4H3,(H,27,30)/b17-14+/t23-,24+/m0/s1
InChIKey CPXCHNAZJDHRKZ-GWXORZSJSA-N
Molecular Weight 433.633 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](CO)([C@@](c1c(\C=C\CCCCCCCCCC)cccc1)(O)[H])[H]
SPLASH splash10-05fr-6090000000-68b7e404628d7d3b6865
Source of Spectrum F4-41-764-7
Wiley ID 1672078