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6-Methyl-3-heptanone
SpectraBase Compound ID 6rZcFPh1JJB
InChI InChI=1S/C8H16O/c1-4-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKey CCCIYAQYQZQDIZ-UHFFFAOYSA-N
Mol Weight 128.21 g/mol
Molecular Formula C8H16O
Exact Mass 128.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gHz0JJh6zi
Name 3-HEPTANONE, 6-METHYL-
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 128.120115134 u
Formula C8H16O
InChI InChI=1S/C8H16O/c1-4-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKey CCCIYAQYQZQDIZ-UHFFFAOYSA-N
Molecular Weight 128.215 g/mol
Nominal Mass 128 u
Number of Peaks 26
SMILES CCC(CCC(C)C)=O
SPLASH splash10-05i3-9000000000-d4eeb1dd08b73331cd1c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000314