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2-Methylhexanal

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

2-Methylhexanal
SpectraBase Compound ID F2VepRxcdIV
InChI InChI=1S/C7H14O/c1-3-4-5-7(2)6-8/h6-7H,3-5H2,1-2H3
InChIKey BHVGMUDWABJNRC-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZMRtUbVJ5a
Name 2-METHYLHEXANAL
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-3-4-5-7(2)6-8/h6-7H,3-5H2,1-2H3
InChIKey BHVGMUDWABJNRC-UHFFFAOYSA-N
Literature Reference Author D.M.HODGSON,C.D.BRAY,N.D.KINDON
Literature Reference Citation J.AM.CHEM.SOC.,126,6870(2004)
Literature Reference DOI 10.1021/ja031770o
Molecular Weight 114.188 g/mol
Solvent CDCl3
Source File Reference UWMZ24500