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(S)-4-Methylhex-5-enal
SpectraBase Compound ID 5BGFCfxsZoi
InChI InChI=1S/C7H12O/c1-3-7(2)5-4-6-8/h3,6-7H,1,4-5H2,2H3/t7-/m1/s1
InChIKey ONNBZNJCHJAMQS-SSDOTTSWSA-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 5mGrwbpauWy
Name (S)-4-Methylhex-5-enal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-3-7(2)5-4-6-8/h3,6-7H,1,4-5H2,2H3/t7-/m1/s1
InChIKey ONNBZNJCHJAMQS-SSDOTTSWSA-N
Instrument Name HP 6890 GC-5973 MSD/Agilent Technologies GC 7890A-5975C MSD
Ionization Type EI
Literature Reference DOI 10.1021/np400131q
Molecular Weight 112.172 g/mol
SMILES C(CC[C@@](C=C)(C)[H])=O
SPLASH splash10-0aor-9000000000-b7c0147fa4bf1ab51d54
Source of Spectrum G4-76-SM14-28
Thin-Layer Chromatography Rf = 0.4 (pentane/tert-butyl methyl ether, 19:1)
Wiley ID 1865731