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2-(Toluene-4-sulfonylmethyl)benzenesulfonic acid, iodomethyl ester
SpectraBase Compound ID 1DkunzC4Eby
InChI InChI=1S/C15H15IO5S2/c1-12-6-8-14(9-7-12)22(17,18)10-13-4-2-3-5-15(13)23(19,20)21-11-16/h2-9H,10-11H2,1H3
InChIKey UXXJEDJWYJZUQO-UHFFFAOYSA-N
Mol Weight 466.3 g/mol
Molecular Formula C15H15IO5S2
Exact Mass 465.940561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75qxnyqrKGo
Name 2-(TOLUENE-4-SULFONYLMETHYL)BENZENESULFONIC ACID, IODOMETHYL ESTER
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Formula C15H15O5S2I
InChI InChI=1S/C15H15IO5S2/c1-12-6-8-14(9-7-12)22(17,18)10-13-4-2-3-5-15(13)23(19,20)21-11-16/h2-9H,10-11H2,1H3
InChIKey UXXJEDJWYJZUQO-UHFFFAOYSA-N
Molecular Weight 465.9361
SMILES c1c(C)ccc(S(=O)(Cc2c(S(=O)(OCI)=O)cccc2)=O)c1
SPLASH splash10-000l-9721000000-d040f19da4c3fb4294b4
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany