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2,2-diethyl-1,3-propanediol, di-p-toluenesulfonate

View entire compound with spectra: 3 NMR, and 1 FTIR

2,2-diethyl-1,3-propanediol, di-p-toluenesulfonate
SpectraBase Compound ID Jm9ZAYRKbnz
InChI InChI=1S/C21H28O6S2/c1-5-21(6-2,15-26-28(22,23)19-11-7-17(3)8-12-19)16-27-29(24,25)20-13-9-18(4)10-14-20/h7-14H,5-6,15-16H2,1-4H3
InChIKey NHYGGIRSZNTXST-UHFFFAOYSA-N
Mol Weight 440.57 g/mol
Molecular Formula C21H28O6S2
Exact Mass 440.132731 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BTBdNvqhixm
Name 2-ethyl-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)butyl 4-methylbenzenesulfonate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H28O6S2/c1-5-21(6-2,15-26-28(22,23)19-11-7-17(3)8-12-19)16-27-29(24,25)20-13-9-18(4)10-14-20/h7-14H,5-6,15-16H2,1-4H3
InChIKey NHYGGIRSZNTXST-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_14914
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 987/00001018; Labnumber: 987/00001018218811; VK_ID: VK-014919
Temperature 308 °C