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(E)-4-tosylhepta-3,6-dien-2-one
SpectraBase Compound ID K3oX3xzwG4n
InChI InChI=1S/C14H16O3S/c1-4-5-14(10-12(3)15)18(16,17)13-8-6-11(2)7-9-13/h4,6-10H,1,5H2,2-3H3/b14-10+
InChIKey GGARBMCCZICTNH-GXDHUFHOSA-N
Mol Weight 264.34 g/mol
Molecular Formula C14H16O3S
Exact Mass 264.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFFcItO5gYD
Name (E)-4-tosylhepta-3,6-dien-2-one
Alternate Name(s) (3E)-4-[(4-methylphenyl)sulfonyl]-3,6-heptadien-2-one
CAS Registry Number 115563-12-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3S
InChI InChI=1S/C14H16O3S/c1-4-5-14(10-12(3)15)18(16,17)13-8-6-11(2)7-9-13/h4,6-10H,1,5H2,2-3H3/b14-10+
InChIKey GGARBMCCZICTNH-GXDHUFHOSA-N
Molecular Weight 264.339 g/mol
SMILES C(\C=C/(S(c1ccc(cc1)C)(=O)=O)CC=C)(=O)C
SPLASH splash10-05mx-9610000000-cfbfbd5b548f074bbbbb
Source of Spectrum J-53-4714-23
Wiley ID 1267749