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(4R,5S)-4-ethyl-2,2,5-trimethyl-1,3-dioxane
SpectraBase Compound ID 35hrMEQDg1J
InChI InChI=1S/C9H18O2/c1-5-8-7(2)6-10-9(3,4)11-8/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKey DAGVUUWZVMSKOY-JGVFFNPUSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Fgvp0zuNxU
Name (4R,5S)-4-ethyl-2,2,5-trimethyl-1,3-dioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 158.130679818 u
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-5-8-7(2)6-10-9(3,4)11-8/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKey DAGVUUWZVMSKOY-JGVFFNPUSA-N
Instrument Name GCMS
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201804831
Molecular Weight 158.241 g/mol
Quality 523
SMILES C(C)[C@]1(OC(OC[C@@]1(C)[H])(C)C)[H]
SPLASH splash10-0a6u-9000000000-f19dfef155a1552ca07f
Source of Spectrum ACI-57-SM47-Figure 32-2 (DOI: 10.1002/anie.201804831)
Wiley ID 1893210