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(4S,1'R)-3-Benzyl-4-(1'-hydroxyhexadec-2'-ynyl)-1,3-oxazolidin-2-one
SpectraBase Compound ID DJfgqO6nIUm
InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(28)24-22-30-26(29)27(24)21-23-18-15-14-16-19-23/h14-16,18-19,24-25,28H,2-13,21-22H2,1H3/t24-,25+/m0/s1
InChIKey CCSMYPHPUUVAOR-LOSJGSFVSA-N
Mol Weight 413.6 g/mol
Molecular Formula C26H39NO3
Exact Mass 413.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRPRViJeFVs
Name (4S,1'R)-3-Benzyl-4-(1'-hydroxyhexadec-2'-ynyl)-1,3-oxazolidin-2-one
Alternate Name(s) (S)-3-benzyl-4-((R)-1-hydroxyhexadec-2-yn-1-yl)oxazolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H39NO3
InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(28)24-22-30-26(29)27(24)21-23-18-15-14-16-19-23/h14-16,18-19,24-25,28H,2-13,21-22H2,1H3/t24-,25+/m0/s1
InChIKey CCSMYPHPUUVAOR-LOSJGSFVSA-N
Molecular Weight 413.602 g/mol
SMILES O[C@@]([C@]1(N(C(OC1)=O)Cc1ccccc1)[H])(C#CCCCCCCCCCCCCC)[H]
SPLASH splash10-002f-9600000000-241e0e553d53ea3ee03a
Source of Spectrum H-69-371-9
Wiley ID 1794913