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(2R,4R,6R,8R)-4,6,8-trimethylundecan-2-ol
SpectraBase Compound ID 3EB6lpGrElD
InChI InChI=1S/C14H30O/c1-6-7-11(2)8-12(3)9-13(4)10-14(5)15/h11-15H,6-10H2,1-5H3/t11-,12-,13-,14-/m1/s1
InChIKey DIAZWOPBMLFNHA-AAVRWANBSA-N
Mol Weight 214.39 g/mol
Molecular Formula C14H30O
Exact Mass 214.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnKsW5xeGxc
Name (2R,4R,6R,8R)-4,6,8-trimethylundecan-2-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.229665585 u
Formula C14H30O
InChI InChI=1S/C14H30O/c1-6-7-11(2)8-12(3)9-13(4)10-14(5)15/h11-15H,6-10H2,1-5H3/t11-,12-,13-,14-/m1/s1
InChIKey DIAZWOPBMLFNHA-AAVRWANBSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201800792
Molecular Weight 214.393 g/mol
Optical Rotation [a]D20= -12.4 (c = 0.17, CHCl3)
Quality 118
Reported Formula C14H30O
SMILES O[C@@](C[C@@](C[C@@](C[C@@](CCC)(C)[H])(C)[H])(C)[H])(C)[H]
SPLASH splash10-02t9-9400000000-4ad0074437e63955ff2c
Sample Comments dr(C(8)) = 97:3, >99% ee
Source of Spectrum ACI-57-SM82-C12 (DOI: 10.1002/anie.201800792)
Wiley ID 1890733