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

*Links on SpectraBase are not permalinks.

3,5-DIMETHYL-4-HEPTANOL;ISOMER-#1

Compound with spectra: 2 NMR

3,5-DIMETHYL-4-HEPTANOL;ISOMER-#1
SpectraBase Compound ID E5CaiAU3laR
InChI InChI=1S/C9H20O/c1-5-7(3)9(10)8(4)6-2/h7-10H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKey ZKXITRNXHWEQJU-HTQZYQBOSA-N
Mol Weight 144.26 g/mol
Molecular Formula C9H20O
Exact Mass 144.151415 g/mol
Enantiomer InChIKey ZKXITRNXHWEQJU-YUMQZZPRSA-N

View Spectrum of 3,5-DIMETHYL-4-HEPTANOL;ISOMER-#1

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown

View Spectrum of 3,5-DIMETHYL-4-HEPTANOL;ISOMER-#1

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
  • 3,5-DIMETHYL-4-HYDROXYHEPTANE
3,5-DIMETHYL-4-HEPTANOL;ISOMER-#2
3,5-dimethyl-4-heptanol
3,5-DIMETHYL-4-HYDROXYHEPTANE
2,4-Dimethyl-3-hexanol
3,5-DIMETHYLHEPT-1-EN-4-OL;ISOMER-#3
3-Hexanol, 4-methyl-
3-Methyl-4-heptanol
3,4,5-TRIMETHYL-HEPTANE;(DIASTEREOMER-1)
2-Pentanol, 3-methyl-
Molybdenum, dicarbonylbis(.eta.-4-3-methyl-3-penten-2-one)
(2S,3R)-2,4-dimethylpentane-1,3-diol
(2S,3S)-2,4-Dimethyl-1,3-pentanediol
Title Journal or Book Year
Assignment of Relative Configuration to Acyclic Compounds Based on 13C NMR Shifts. A Density Functional and Molecular Mechanics Study The Journal of Organic Chemistry 1996
syn/anti ‐Configurational Assignment of sec ‐Butalcarbinols Based on 13 C‐NMR Spectra Chemische Berichte 1990

This compound is available in the following databases:

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

3,5-DIMETHYL-4-HYDROXYHEPTANE
3,5-DIMETHYL-4-HEPTANOL;ISOMER-#2
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.