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4-Heptanol, 4-methyl-
SpectraBase Compound ID FItmjR4bfNj
InChI InChI=1S/C8H18O/c1-4-6-8(3,9)7-5-2/h9H,4-7H2,1-3H3
InChIKey IQXKGRKRIRMQCQ-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 ApEiT5nP0L4
Name 4-Heptanol, 4-methyl-
CAS Registry Number 598-01-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18O
InChI InChI=1S/C8H18O/c1-4-6-8(3,9)7-5-2/h9H,4-7H2,1-3H3
InChIKey IQXKGRKRIRMQCQ-UHFFFAOYSA-N
Molecular Weight 130.231 g/mol
SMILES OC(C)(CCC)CCC
SPLASH splash10-000m-9000000000-329aad0997b5b9db0ff3
Source of Spectrum AA-0-612-4
Synonyms 4-Hydroxy-4-methylheptane 4-Methyl-4-heptanol 4-Methylheptan-4-ol
Wiley ID 1133074