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4,5-dimethyl-isoprenol
SpectraBase Compound ID AueDxbM8Lzz
InChI InChI=1S/C7H14O/c1-3-7(4-2)5-6-8/h3,8H,4-6H2,1-2H3
InChIKey BKUZULFHUKNCGI-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuMiOXrPxE2
Name 4,5-dimethyl-isoprenol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-3-7(4-2)5-6-8/h3,8H,4-6H2,1-2H3
InChIKey BKUZULFHUKNCGI-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202200091
Molecular Weight 114.188 g/mol
SMILES OCCC(=CC)CC
SPLASH splash10-0aou-9000000000-2eef89a63f49a70e7e27
Source of Spectrum CBC-23-SM11-3, 4
Wiley ID 1873203