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2-(tert-butylsulfonyl)isophthalic acid

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2-(tert-butylsulfonyl)isophthalic acid
SpectraBase Compound ID 31a67HUo5lJ
InChI InChI=1S/C12H14O6S/c1-12(2,3)19(17,18)9-7(10(13)14)5-4-6-8(9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKey PMZOXOVSADJDMD-UHFFFAOYSA-N
Mol Weight 286.3 g/mol
Molecular Formula C12H14O6S
Exact Mass 286.051109 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3RbuuJccbmp
Name 2-(tert-butylsulfonyl)isophthalic acid
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/C12H14O6S/c1-12(2,3)19(17,18)9-7(10(13)14)5-4-6-8(9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKey PMZOXOVSADJDMD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2160
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: S09285M58-051; Labnumber: S09285M58-051; VK_ID: VK-002161
Temperature 315 °C