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1,1,1-trifluoro-2,5,5-trimethylhexan-2-ol-3,3-D2
SpectraBase Compound ID HiTfpRXejN1
InChI InChI=1S/C9H17F3O/c1-7(2,3)5-6-8(4,13)9(10,11)12/h13H,5-6H2,1-4H3/i6D2
InChIKey NXFJARLBMNQPMF-NCYHJHSESA-N
Mol Weight 200.24 g/mol
Molecular Formula C9H15D2F3O
Exact Mass 200.135703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AK5GM7wswdf
Name 1,1,1-trifluoro-2,5,5-trimethylhexan-2-ol-3,3-D2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15D2F3O
InChI InChI=1S/C9H17F3O/c1-7(2,3)5-6-8(4,13)9(10,11)12/h13H,5-6H2,1-4H3/i6D2
InChIKey NXFJARLBMNQPMF-NCYHJHSESA-N
Literature Reference DOI 10.1039/c4sc01732c
Molecular Weight 200.241 g/mol
SMILES OC(C([D])([D])CC(C)(C)C)(C)C(F)(F)F
SPLASH splash10-0aou-9400000000-d33ff39166efd5cb7318
Source of Spectrum CSS-5-3983/SMS14-3t'
Wiley ID 1755090