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5-(p-tolylsulfonyl)-1,3-pentadiene
SpectraBase Compound ID A1QIcR7rrJt
InChI InChI=1S/C12H14O2S/c1-3-4-5-10-15(13,14)12-8-6-11(2)7-9-12/h3-9H,1,10H2,2H3/b5-4+
InChIKey YQRQHIMZNHQWEW-SNAWJCMRSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1JHOVX57h7
Name 5-(p-tolylsulfonyl)-1,3-pentadiene
Alternate Name(s) 1-Methyl-4-[(2E)-2,4-pentadienylsulfonyl]benzene 4-Methylphenyl (2E)-2,4-pentadienyl sulfone
CAS Registry Number 103084-17-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-3-4-5-10-15(13,14)12-8-6-11(2)7-9-12/h3-9H,1,10H2,2H3/b5-4+
InChIKey YQRQHIMZNHQWEW-SNAWJCMRSA-N
Molecular Weight 222.302 g/mol
SMILES c1(S(=O)(=O)C\C=C\C=C)ccc(cc1)C
SPLASH splash10-014l-9000000000-2d7095e5a15179afdcb1
Source of Spectrum J-54-124-0
Wiley ID 1222134