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2-Heptanol, 5-methyl-
SpectraBase Compound ID 86f0eN4ttmX
InChI InChI=1S/C8H18O/c1-4-7(2)5-6-8(3)9/h7-9H,4-6H2,1-3H3
InChIKey FYMBAYNKBWGEIK-UHFFFAOYSA-N
Mol Weight 130.23 g/mol
Molecular Formula C8H18O
Exact Mass 130.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBg95kTWGcY
Name 2-Heptanol, 5-methyl-
CAS Registry Number 54630-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18O
InChI InChI=1S/C8H18O/c1-4-7(2)5-6-8(3)9/h7-9H,4-6H2,1-3H3
InChIKey FYMBAYNKBWGEIK-UHFFFAOYSA-N
Molecular Weight 130.231 g/mol
SMILES OC(CCC(CC)C)C
SPLASH splash10-052e-9000000000-7c7e2b6e5d5cf3c197ea
Source of Spectrum NP-16-8563-0
Synonyms 5-Methyl-2-heptanol 5-Methylheptan-2-ol
Wiley ID 1097029