For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Heptanol, 6-methyl-
SpectraBase Compound ID BIn1ONdxZNY
InChI InChI=1S/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3
InChIKey FCOUHTHQYOMLJT-UHFFFAOYSA-N
Mol Weight 130.23 g/mol
Molecular Formula C8H18O
Exact Mass 130.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IuRCeEA9paB
Name Heptan-2-ol <6-methyl->
CAS Registry Number 4730-22-7
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 130.135765199 u
Formula C8H18O
InChI InChI=1S/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3
InChIKey FCOUHTHQYOMLJT-UHFFFAOYSA-N
Molecular Weight 130.231 g/mol
Number of Peaks 35
RI1 960
SMILES OC(CCCC(C)C)C
SPLASH splash10-0005-9000000000-29f30ad72870f677e838
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2-Heptanol, 6-methyl-
Wiley ID LM_FFNSC3_2953