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Benzene, [(1-methyl-3-pentenyl)sulfonyl]-, (E)-
SpectraBase Compound ID LCjIhkqsOXm
InChI InChI=1S/C12H16O2S/c1-3-4-8-11(2)15(13,14)12-9-6-5-7-10-12/h3-7,9-11H,8H2,1-2H3/b4-3+
InChIKey IKLOZSRPUWCUHN-ONEGZZNKSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GDgE7C50ng
Name Benzene, [(1-methyl-3-pentenyl)sulfonyl]-, (E)-
Alternate Name(s) (3E)-1-methyl-3-pentenyl phenyl sulfone {[(3E)-1-methyl-3-pentenyl]sulfonyl}benzene
CAS Registry Number 123209-38-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-3-4-8-11(2)15(13,14)12-9-6-5-7-10-12/h3-7,9-11H,8H2,1-2H3/b4-3+
InChIKey IKLOZSRPUWCUHN-ONEGZZNKSA-N
Molecular Weight 224.318 g/mol
SMILES c1(S(=O)(=O)C(C\C=C\C)C)ccccc1
SPLASH splash10-0a5c-9000000000-14ff4f32e772165f7326
Source of Spectrum C-111-8889-5
Wiley ID 1224861