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Hept-1-en-3-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 5 MS (GC)

Hept-1-en-3-one
SpectraBase Compound ID 5YLdn67CaRF
InChI InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3
InChIKey OYLCUJRJCUXQBQ-UHFFFAOYSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANW1MD2milK
Name 1-HEPTEN-3-ONE
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 112.088815005 u
Formula C7H12O
InChI InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3
InChIKey OYLCUJRJCUXQBQ-UHFFFAOYSA-N
Molecular Weight 112.172 g/mol
Nominal Mass 112 u
Number of Peaks 39
SMILES C=CC(CCCC)=O
SPLASH splash10-0adi-9000000000-4e24d578bfc030290cf7
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX001383