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3,3,6,6-Tetramethyl-9-(5-phenyl-thiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID JrRo0e7tyCk
InChI InChI=1S/C27H28O3S/c1-26(2)12-17(28)23-19(14-26)30-20-15-27(3,4)13-18(29)24(20)25(23)22-11-10-21(31-22)16-8-6-5-7-9-16/h5-11,25H,12-15H2,1-4H3
InChIKey PTUSKUGPUKBYPQ-UHFFFAOYSA-N
Mol Weight 432.58 g/mol
Molecular Formula C27H28O3S
Exact Mass 432.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0uUdseDFvo
Name 3,3,6,6-Tetramethyl-9-(5-phenyl-thiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28O3S
InChI InChI=1S/C27H28O3S/c1-26(2)12-17(28)23-19(14-26)30-20-15-27(3,4)13-18(29)24(20)25(23)22-11-10-21(31-22)16-8-6-5-7-9-16/h5-11,25H,12-15H2,1-4H3
InChIKey PTUSKUGPUKBYPQ-UHFFFAOYSA-N
Instrument Name SHIMADZU QP5050A
Ionization Type EI positive ion
Literature Reference DOI 10.1016/j.arabjc.2017.09.001
Molecular Weight 432.578 g/mol
SMILES CC1(C)CC(C2=C(C1)OC1=C(C2c2ccc(s2)-c2ccccc2)C(CC(C)(C)C1)=O)=O
SPLASH splash10-001i-0011900000-fec047237f285fdfc267
Source of Spectrum AJC-13-977-11
Wiley ID 1857430