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(S)-[2-D]-3-hydroxy-3-methylfuranone
SpectraBase Compound ID TrZqRPdcEk
InChI InChI=1S/C5H8O3/c1-5(7)2-4(6)8-3-5/h7H,2-3H2,1H3/t5-/m0/s1/i2D/t2?,5-
InChIKey LOWUODSNVLOLJO-BAKHEUMUSA-N
Mol Weight 117.12 g/mol
Molecular Formula C5H7DO3
Exact Mass 117.053621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 787P6g7LGYu
Name (S)-[2-D]-3-hydroxy-3-methylfuranone
Appearance Colorless oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 117.053620861 u
Formula C5H7DO3
GC Column Varian FactorFour VF-1 (25 m x 0.25 mm, film thickness 0.4 micormeter)
InChI InChI=1S/C5H8O3/c1-5(7)2-4(6)8-3-5/h7H,2-3H2,1H3/t5-/m0/s1/i2D/t2?,5-
InChIKey LOWUODSNVLOLJO-BAKHEUMUSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405579
Molecular Weight 117.122 g/mol
Quality 446
SMILES O[C@]1(C(C(OC1)=O)[D])C
SPLASH splash10-052f-9000000000-34bed7fcf730b29bddbb
Source of Spectrum QE-21-SM23-4b (DOI: 10.1002/chem.201405579)
Wiley ID 1909313