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Toluene-4-sulfonic acid, 3-iodo-2,2-dimethylpropyl ester
SpectraBase Compound ID H04dd8GL8q4
InChI InChI=1S/C12H17IO3S/c1-10-4-6-11(7-5-10)17(14,15)16-9-12(2,3)8-13/h4-7H,8-9H2,1-3H3
InChIKey WKYAGPAFLVFUEQ-UHFFFAOYSA-N
Mol Weight 368.23 g/mol
Molecular Formula C12H17IO3S
Exact Mass 367.994311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cAYG6fbDCB
Name TOLUENE-4-SULFONIC ACID 3-IODO-2,2-DIMETHYL-PROPYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17O3SI
InChI InChI=1S/C12H17IO3S/c1-10-4-6-11(7-5-10)17(14,15)16-9-12(2,3)8-13/h4-7H,8-9H2,1-3H3
InChIKey WKYAGPAFLVFUEQ-UHFFFAOYSA-N
Molecular Weight 367.9898
SMILES c1(C)ccc(S(OCC(CI)(C)C)(=O)=O)cc1
SPLASH splash10-05mo-9200000000-e0e794b14d8dc93ee67c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany