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3,3-Diethyl-1-((4-methylphenyl)sulfonyl)-5-hexen-2-one
SpectraBase Compound ID HAHvwyzCYf
InChI InChI=1S/C17H24O3S/c1-5-12-17(6-2,7-3)16(18)13-21(19,20)15-10-8-14(4)9-11-15/h5,8-11H,1,6-7,12-13H2,2-4H3
InChIKey QGNRTESKZFBXPR-UHFFFAOYSA-N
Mol Weight 308.44 g/mol
Molecular Formula C17H24O3S
Exact Mass 308.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eh65AR53OyB
Name 3,3-Diethyl-1-((4-methylphenyl)sulfonyl)-5-hexen-2-one
CAS Registry Number 123209-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3S
InChI InChI=1S/C17H24O3S/c1-5-12-17(6-2,7-3)16(18)13-21(19,20)15-10-8-14(4)9-11-15/h5,8-11H,1,6-7,12-13H2,2-4H3
InChIKey QGNRTESKZFBXPR-UHFFFAOYSA-N
Molecular Weight 308.436 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C(CC=C)(CC)CC)=O
SPLASH splash10-066u-9200000000-3fe8fbcaa72b0abc763e
Source of Spectrum C-111-8889-3
Wiley ID 1309755