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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR, and 2 FTIR

2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate
SpectraBase Compound ID 9rmJtvqTzcq
InChI InChI=1S/2C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4;1-8(2)10(12(5,6)7-13)15-11(14)9(3)4/h2*8-10,13H,7H2,1-6H3
InChIKey NDEMTTVWCLWAQG-UHFFFAOYSA-N
Mol Weight 432.64 g/mol
Molecular Formula C24H48O6
Exact Mass 432.345089 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID J9G6lAKSSbR
Name 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 450375
CAS Registry Number 25265-77-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H48O6
InChI InChI=1S/2C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4;1-8(2)10(12(5,6)7-13)15-11(14)9(3)4/h2*8-10,13H,7H2,1-6H3
InChIKey NDEMTTVWCLWAQG-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester 3-Hydroxy-2,2,4-trimethylpentyl isobutyrate
Wiley ID SIAL_1HNMR_009837