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(2S,3S)-3-methylhex-5-en-2-ol
SpectraBase Compound ID LnLrUTo5UZx
InChI InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h4,6-8H,1,5H2,2-3H3/t6-,7+/m0/s1
InChIKey KSXVDBSINBXKGA-NKWVEPMBSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gFp8OC4Ryo
Name (2S,3S)-3-methylhex-5-en-2-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 114.104465070 u
Formula C7H14O
InChI InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h4,6-8H,1,5H2,2-3H3/t6-,7+/m0/s1
InChIKey KSXVDBSINBXKGA-NKWVEPMBSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601911
Molecular Weight 114.188 g/mol
Quality 274
Reported Formula C7H14O
SMILES O[C@@]([C@](CC=C)(C)[H])(C)[H]
SPLASH splash10-052b-9000000000-da1e2dd27295475b8f13
Sample Comments dr = 99:1
Source of Spectrum QE-22-SM12-syn-s4 (DOI: 10.1002/chem.201601911)
Wiley ID 1903544