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

View entire compound with spectra: 2 NMR, and 1 FTIR

2,2,4-Trimethyl-1,3-pentanediol dibenzoate
SpectraBase Compound ID HUl4v8cVenp
InChI InChI=1S/C22H26O4/c1-16(2)19(26-21(24)18-13-9-6-10-14-18)22(3,4)15-25-20(23)17-11-7-5-8-12-17/h5-14,16,19H,15H2,1-4H3
InChIKey FTSXVYQZLNPTCM-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5dh8Smg9RvK
Name 2,2,4-Trimethyl-1,3-pentanediol dibenzoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 458058
CAS Registry Number 68052-23-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-16(2)19(26-21(24)18-13-9-6-10-14-18)22(3,4)15-25-20(23)17-11-7-5-8-12-17/h5-14,16,19H,15H2,1-4H3
InChIKey FTSXVYQZLNPTCM-UHFFFAOYSA-N
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_010093