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(3S,6R)-3-(But-3-en-1-yl)-6,10-dimethylundecan-2-one
SpectraBase Compound ID 6WQKk2buBb3
InChI InChI=1S/C17H32O/c1-6-7-11-17(16(5)18)13-12-15(4)10-8-9-14(2)3/h6,14-15,17H,1,7-13H2,2-5H3/t15-,17+/m1/s1
InChIKey LNUHEFLCFMERTF-WBVHZDCISA-N
Mol Weight 252.4 g/mol
Molecular Formula C17H32O
Exact Mass 252.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WzQk0vfFl7
Name (3S,6R)-3-(But-3-en-1-yl)-6,10-dimethylundecan-2-one
Appearance Clear liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O
InChI InChI=1S/C17H32O/c1-6-7-11-17(16(5)18)13-12-15(4)10-8-9-14(2)3/h6,14-15,17H,1,7-13H2,2-5H3/t15-,17+/m1/s1
InChIKey LNUHEFLCFMERTF-WBVHZDCISA-N
Instrument Name HP 6890-5973 or Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900224
Molecular Weight 252.442 g/mol
SMILES CC([C@](CC[C@@](CCCC(C)C)(C)[H])(CCC=C)[H])=O
SPLASH splash10-00dl-9300000000-c8c571f11bd536a8a830
Source of Spectrum U1-2019-SM37-11a
Thin-Layer Chromatography Rf = 0.29 (silica gel, pentane/EtOAc, 97:3)
Wiley ID 1848588