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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

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SpectraBase Spectrum ID KTRHQTIhVOi
Name 2,2,4-Trimethyl-1,3-pentanediol
CAS Registry Number 144-19-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name see comment
Literature Reference J, Reuben, J. Am. Chem. Soc. 107, 1756 (1985).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6