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1-(3-furanyl)-1-(4-methylphenyl)sulfonyl-3-(2,6,6-trimethyl-1-cyclohex-2-enyl)-2-propanone
SpectraBase Compound ID IKux8GtXrBH
InChI InChI=1S/C23H28O4S/c1-16-7-9-19(10-8-16)28(25,26)22(18-11-13-27-15-18)21(24)14-20-17(2)6-5-12-23(20,3)4/h6-11,13,15,20,22H,5,12,14H2,1-4H3
InChIKey NNTFFHALUBZMCG-UHFFFAOYSA-N
Mol Weight 400.53 g/mol
Molecular Formula C23H28O4S
Exact Mass 400.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OQoEwEXlg
Name 1-(3-furanyl)-1-(4-methylphenyl)sulfonyl-3-(2,6,6-trimethyl-1-cyclohex-2-enyl)-2-propanone
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Formula C23H28O4S
InChI InChI=1S/C23H28O4S/c1-16-7-9-19(10-8-16)28(25,26)22(18-11-13-27-15-18)21(24)14-20-17(2)6-5-12-23(20,3)4/h6-11,13,15,20,22H,5,12,14H2,1-4H3
InChIKey NNTFFHALUBZMCG-UHFFFAOYSA-N
Molecular Weight 400.533 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(CC1C(=CCCC1(C)C)C)=O)c1cocc1
SPLASH splash10-006x-9540000000-8d8ece81c506dab690a4
Source of Spectrum J-60-3583-6
Synonyms 1-(3-furyl)-1-(p-tolylsulfonyl)-3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-2-one 1-(3-furyl)-1-tosyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)acetone 1-(furan-3-yl)-1-(4-methylphenyl)sulfonyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-2-one
Wiley ID 1369460