John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=eG6r7ibdtD SpectraBase Spectrum ID=2vOKunhoD3A

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6-METHYL-2,4-HEPTANEDIONE
SpectraBase Compound ID eG6r7ibdtD
InChI InChI=1S/2C8H14O2/c2*1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3;5-6,9H,4H2,1-3H3/b;7-5-
InChIKey NLNUIFDTCSKFKX-GMLUHMIMSA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vOKunhoD3A
Name 6-METHYL-2,4-HEPTANEDIONE
Source of Sample Eastman Organic Chemicals, Rochester, New York
Boiling Point 73-75C/18mm
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Formula C8H14O2
InChI InChI=1S/2C8H14O2/c2*1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3;5-6,9H,4H2,1-3H3/b;7-5-
InChIKey NLNUIFDTCSKFKX-GMLUHMIMSA-N
Molecular Weight 142.20
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
SpectraBase Batch ID EwtAvphecVW
Synonyms 2,4-HEPTANEDIONE, 6-METHYL-,