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9-(4-bromophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID 8Aat0J0a4Tl
InChI InChI=1S/C23H25BrO3/c1-22(2)9-15(25)20-17(11-22)27-18-12-23(3,4)10-16(26)21(18)19(20)13-5-7-14(24)8-6-13/h5-8,19H,9-12H2,1-4H3
InChIKey WHOUHYVNOIUUCL-UHFFFAOYSA-N
Mol Weight 429.35 g/mol
Molecular Formula C23H25BrO3
Exact Mass 428.098708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8optTnTbqjh
Name 9-(4-bromophenyl)-3,3,6,6-tetramethyl-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 C23H25BrO3
InChI InChI=1S/C23H25BrO3/c1-22(2)9-15(25)20-17(11-22)27-18-12-23(3,4)10-16(26)21(18)19(20)13-5-7-14(24)8-6-13/h5-8,19H,9-12H2,1-4H3
InChIKey WHOUHYVNOIUUCL-UHFFFAOYSA-N
Instrument Name SHIMADZU QP5050A
Ionization Type EI positive ion
Literature Reference DOI 10.1016/j.arabjc.2017.09.001
Molecular Weight 429.354 g/mol
SMILES CC1(C)CC(C2=C(C1)OC1=C(C2c2ccc(cc2)Br)C(CC(C)(C)C1)=O)=O
SPLASH splash10-00di-3191400000-a9e848c7453915b9902a
Source of Spectrum AJC-13-975-3
Wiley ID 1857431