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

*Links on SpectraBase are not permalinks.

2,2,4-Trimethyl-1,3-pentanediol

View entire compound with spectra: 14 NMR, 13 FTIR, 1 Raman, and 7 MS (GC)

2,2,4-Trimethyl-1,3-pentanediol
SpectraBase Compound ID IUR1R0sVzou
InChI InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
InChIKey JCTXKRPTIMZBJT-UHFFFAOYSA-N
Mol Weight 146.23 g/mol
Molecular Formula C8H18O2
Exact Mass 146.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 1XdgHgKbtxQ
Name 2,2,4-TRIMETHYL-1,3-PENTANEDIOL
Source of Sample Fluka AG, Buchs, Switzerland
Boiling Point 109-111C/4mm
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18O2
InChI InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
InChIKey JCTXKRPTIMZBJT-UHFFFAOYSA-N
Melting Point 49-51C
Molecular Weight 146.23
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
Synonyms 1,3-PENTANEDIOL, 2,2,4-TRIMETHYL-,