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3-Hexanone, 6-hydroxy-
SpectraBase Compound ID CkE2T9efxSU
InChI InChI=1S/C6H12O2/c1-2-6(8)4-3-5-7/h7H,2-5H2,1H3
InChIKey APQMHEQLBDXGMP-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 FUWDTP3e97E
Name 3-Hexanone, 6-hydroxy-
Alternate Name(s) 6-hydroxy-3-hexanone 6-Hydroxyhexan-3-one 6-oxidanylhexan-3-one
CAS Registry Number 98499-03-7
Comments Less than 3 mono-isotopic peaks
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Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-2-6(8)4-3-5-7/h7H,2-5H2,1H3
InChIKey APQMHEQLBDXGMP-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
SMILES OCCCC(=O)CC
SPLASH splash10-0a4i-9000000000-13413efedcf70f8226d1
Source of Spectrum KC-1988-2978-22
Wiley ID 1125743