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N-[(1S,2R)-2-hydroxy-1-methylol-heptadec-3-ynyl]caprylamide
SpectraBase Compound ID BlQQUEMqnsO
InChI InChI=1S/C26H49NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1
InChIKey ZDZPIQLQPUUKIF-LOSJGSFVSA-N
Mol Weight 423.7 g/mol
Molecular Formula C26H49NO3
Exact Mass 423.371244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Y3v34MQ5uQ
Name N-[(1S,2R)-2-hydroxy-1-methylol-heptadec-3-ynyl]caprylamide
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H49NO3
InChI InChI=1S/C26H49NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1
InChIKey ZDZPIQLQPUUKIF-LOSJGSFVSA-N
Literature Reference Author G.TRIOLA,G.FABRIAS,J.CASAS,A.LLEBARIA
Literature Reference Citation J.ORG.CHEM.,68,9924(2003)
Literature Reference DOI 10.1021/jo030141u
Molecular Weight 423.680 g/mol
Solvent Unknown
Source File Reference UWVN25711