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(E)-6,6-dimethyl-4-tosylhept-3-ene-2,5-dione
SpectraBase Compound ID KWhNTFfklqu
InChI InChI=1S/C16H20O4S/c1-11-6-8-13(9-7-11)21(19,20)14(10-12(2)17)15(18)16(3,4)5/h6-10H,1-5H3/b14-10+
InChIKey HHNCOBCDXOSXDE-GXDHUFHOSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpORepDv89f
Name (E)-6,6-dimethyl-4-tosylhept-3-ene-2,5-dione
Alternate Name(s) (3E)-6,6-dimethyl-4-[(4-methylphenyl)sulfonyl]-3-heptene-2,5-dione
CAS Registry Number 115563-24-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-11-6-8-13(9-7-11)21(19,20)14(10-12(2)17)15(18)16(3,4)5/h6-10H,1-5H3/b14-10+
InChIKey HHNCOBCDXOSXDE-GXDHUFHOSA-N
Molecular Weight 308.392 g/mol
SMILES c1(S(\C(C(C(C)(C)C)=O)=C/C(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-0f6y-9350000000-00c06b532fc6180c1fb7
Source of Spectrum J-53-4715-27
Wiley ID 1309635