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6-(5-hydroxy-2,2-dimethyltetrahydrofuran-3-yl)-4-methylhexan-2-one
SpectraBase Compound ID 9MU8wPZTT5x
InChI InChI=1S/C13H24O3/c1-9(7-10(2)14)5-6-11-8-12(15)16-13(11,3)4/h9,11-12,15H,5-8H2,1-4H3
InChIKey JBXNDHRYWBJCTI-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cbq2EH4Muu
Name 6-(5-hydroxy-2,2-dimethyltetrahydrofuran-3-yl)-4-methylhexan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-9(7-10(2)14)5-6-11-8-12(15)16-13(11,3)4/h9,11-12,15H,5-8H2,1-4H3
InChIKey JBXNDHRYWBJCTI-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C or Thermo Scientific Trace 1310-TSQ 8000 Evo
Ionization Type EI
Literature Reference DOI 10.1002/hlca.202000129
Molecular Weight 228.332 g/mol
SMILES OC1CC(C(O1)(C)C)CCC(CC(C)=O)C
SPLASH splash10-052o-9100000000-6d1584083ec7aabc8f5a
Sample Comments diastereomeric mixture
Source of Spectrum H-103-SM27-19
Wiley ID 1856296