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[2-13C]Cyclohexane-1,3-dione
SpectraBase Compound ID 4u1fIdTpqoU
InChI InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2/i4+1
InChIKey HJSLFCCWAKVHIW-AZXPZELESA-N
Mol Weight 113.12 g/mol
Molecular Formula C513CH8O2
Exact Mass 113.055784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzA89DLYUFP
Name [2-13C]Cyclohexane-1,3-dione
Alternate Name(s) cyclohexane-1,3-dione - [¹³C]-labelled
Comments Less than 3 mono-isotopic peaks; Original formula: C5[13C]H8O2
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Formula C6H8O2
InChI InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2/i4+1
InChIKey HJSLFCCWAKVHIW-AZXPZELESA-N
Molecular Weight 113.120 g/mol
SMILES [13CH2]1C(CCCC1=O)=O
SPLASH splash10-03e0-9900000000-12cb1831ffff502120ec
Source of Spectrum KC-60-1890-10
Wiley ID 1583567