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CYCLOHEXANONE, 3-(HYDROXYMETHYL)-, p-TOLUENESULFONATE
SpectraBase Compound ID KNL3nJGXLDU
InChI InChI=1S/C14H18O4S/c15-14-8-4-7-13(9-14)10-18-19(16,17)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKey YHAAUTRESPTERT-UHFFFAOYSA-N
Mol Weight 282.35 g/mol
Molecular Formula C14H18O4S
Exact Mass 282.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOZbguqdxZh
Name CYCLOHEXANONE, 3-(HYDROXYMETHYL)-, p-TOLUENESULFONATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H18O4S
InChI InChI=1S/C14H18O4S/c15-14-8-4-7-13(9-14)10-18-19(16,17)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKey YHAAUTRESPTERT-UHFFFAOYSA-N
Molecular Weight 282.0921
SMILES C(S(OCC1CC(=O)CCC1)(=O)=O)c1ccccc1
SPLASH splash10-08gl-9300000000-ce55fb9a059e8788fa96
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany