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3-Hydroxy-1-(3-hydroxytetrahydro-2H-pyran-3-yl)-butan-1-one
SpectraBase Compound ID 1uHw3CGvOCY
InChI InChI=1S/C9H16O4/c1-7(10)5-8(11)9(12)3-2-4-13-6-9/h7,10,12H,2-6H2,1H3
InChIKey XBHONWFAUUZSCC-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Rgc7ni7rql
Name 3-Hydroxy-1-(3-hydroxytetrahydro-2H-pyran-3-yl)-butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.104858991 u
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-7(10)5-8(11)9(12)3-2-4-13-6-9/h7,10,12H,2-6H2,1H3
InChIKey XBHONWFAUUZSCC-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202113405
Molecular Weight 188.223 g/mol
Quality 201
SMILES OC(CC(C1(CCCOC1)O)=O)C
SPLASH splash10-0udi-2900000000-808fdb825f16e3d44098
Source of Spectrum ACI-61-SM11-15 (DOI: 10.1002/anie.202113405)
Wiley ID 1897485