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4-iodobut-3-enyl 4-methylbenzenesulfonate
SpectraBase Compound ID LxhjMwAiBNv
InChI InChI=1S/C11H13IO3S/c1-10-4-6-11(7-5-10)16(13,14)15-9-3-2-8-12/h2,4-8H,3,9H2,1H3/b8-2+
InChIKey IYZPGNVSHIZOBJ-KRXBUXKQSA-N
Mol Weight 352.19 g/mol
Molecular Formula C11H13IO3S
Exact Mass 351.96301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RXhRzQCoxa
Name 4-iodobut-3-enyl 4-methylbenzenesulfonate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13IO3S
InChI InChI=1S/C11H13IO3S/c1-10-4-6-11(7-5-10)16(13,14)15-9-3-2-8-12/h2,4-8H,3,9H2,1H3/b8-2+
InChIKey IYZPGNVSHIZOBJ-KRXBUXKQSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.201910397
Molecular Weight 352.186 g/mol
Reported Formula C11H13IO3S
SMILES C(\C=C\I)COS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-001i-1900000000-422839753e4d4dc84f39
Source of Spectrum ACI-59-SM12-5j
Wiley ID 1856759