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2-butyl-2-ethyl-1,3-propanediol, dibenzenesulfonate

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

2-butyl-2-ethyl-1,3-propanediol, dibenzenesulfonate
SpectraBase Compound ID HRp8P1kVAKC
InChI InChI=1S/C21H28O6S2/c1-3-5-16-21(4-2,17-26-28(22,23)19-12-8-6-9-13-19)18-27-29(24,25)20-14-10-7-11-15-20/h6-15H,3-5,16-18H2,1-2H3
InChIKey CQWLAPNCXNPUND-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 7EsHMLsc65Z
Name 2-ethyl-2-{[(phenylsulfonyl)oxy]methyl}hexyl benzenesulfonate
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/c1-3-5-16-21(4-2,17-26-28(22,23)19-12-8-6-9-13-19)18-27-29(24,25)20-14-10-7-11-15-20/h6-15H,3-5,16-18H2,1-2H3
InChIKey CQWLAPNCXNPUND-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17776
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: 987/00006140; Labnumber: 987/00006140218875; VK_ID: VK-017783
Temperature 308 °C