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1-hydroxy-4-methylpentan-2-one
SpectraBase Compound ID 7P8QOKejAy1
InChI InChI=1S/C6H12O2/c1-5(2)3-6(8)4-7/h5,7H,3-4H2,1-2H3
InChIKey ARVGGOVEVYSUPQ-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IN7BIzBxRNv
Name 1-hydroxy-4-methylpentan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 116.083729624 u
Formula C6H12O2
GC Column Agilent DB-5 (300 mm x 0.25 mm x 0.25 mm)
InChI InChI=1S/C6H12O2/c1-5(2)3-6(8)4-7/h5,7H,3-4H2,1-2H3
InChIKey ARVGGOVEVYSUPQ-UHFFFAOYSA-N
Instrument Name Agilent 7890A Series GC-MS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202116344
Molecular Weight 116.160 g/mol
Quality 743
SMILES OCC(CC(C)C)=O
SPLASH splash10-052o-9000000000-b6238af1ffc9161e3064
Source of Spectrum ACI-61-SM74-9 (DOI: 10.1002/anie.202116344)
Wiley ID 1902806