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3-Heptanol, 3-methyl-
SpectraBase Compound ID JChFtKvP210
InChI InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3
InChIKey PQOSNJHBSNZITJ-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 EEYlimtiETl
Name 3-Heptanol, 3-methyl-
CAS Registry Number 5582-82-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18O
InChI InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3
InChIKey PQOSNJHBSNZITJ-UHFFFAOYSA-N
Molecular Weight 130.231 g/mol
SMILES OC(C)(CCCC)CC
SPLASH splash10-05fu-9000000000-6f7c0de0e6780e84a811
Source of Spectrum EP-2964-0-0
Synonyms 2-Ethyl-2-hexanol 3-Methyl-3-heptanol 3-Methylheptan-3-ol NSC 25542
Wiley ID 1133062