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2-(hydroxymethyl)-2-methylcyclopentanone, p-toluenesulfonate

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2-(hydroxymethyl)-2-methylcyclopentanone, p-toluenesulfonate
SpectraBase Compound ID 7HqXHNr2K2D
InChI InChI=1S/C14H18O4S/c1-11-5-7-12(8-6-11)19(16,17)18-10-14(2)9-3-4-13(14)15/h5-8H,3-4,9-10H2,1-2H3
InChIKey JKYOLAUGXJFFTJ-UHFFFAOYSA-N
Mol Weight 282.35 g/mol
Molecular Formula C14H18O4S
Exact Mass 282.09258 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EC799xXKhKB
Name (1-methyl-2-oxocyclopentyl)methyl 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/C14H18O4S/c1-11-5-7-12(8-6-11)19(16,17)18-10-14(2)9-3-4-13(14)15/h5-8H,3-4,9-10H2,1-2H3
InChIKey JKYOLAUGXJFFTJ-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15500
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: 987/00002123; Labnumber: 987/00002123218825; VK_ID: VK-015505
Temperature 308 °C