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2,2,5-trimethylhex-4-enoic acid
SpectraBase Compound ID K4TDOTOuuWX
InChI InChI=1S/C9H16O2/c1-7(2)5-6-9(3,4)8(10)11/h5H,6H2,1-4H3,(H,10,11)
InChIKey KZXMRHOGIHXVEI-UHFFFAOYSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WmnI1zpqi3
Name 2,2,5-trimethylhex-4-enoic acid
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 156.115029753 u
Formula C9H16O2
GC Column HP-5 (30 m x 0.320 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C9H16O2/c1-7(2)5-6-9(3,4)8(10)11/h5H,6H2,1-4H3,(H,10,11)
InChIKey KZXMRHOGIHXVEI-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702680
Molecular Weight 156.225 g/mol
Quality 214
SMILES OC(C(CC=C(C)C)(C)C)=O
SPLASH splash10-014i-9100000000-c3d77f9af1f12d735319
Source of Spectrum QE-23-12907-14 (DOI: 10.1002/chem.201702680)
Wiley ID 1905801