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3-Hydroxy-6,7,9,11-tetramethyl-2-[(phenylsulfonyl)acetyl]heptalen-1(1H)-one
SpectraBase Compound ID LBDdihq05vY
InChI InChI=1S/C25H22O4S/c1-14-12-16(3)20-15(2)10-11-19-22(21(20)17(4)13-14)24(27)25(23(19)26)30(28,29)18-8-6-5-7-9-18/h5-13,26H,1-4H3
InChIKey ZHQRHKKCYXBVDK-UHFFFAOYSA-N
Mol Weight 418.51 g/mol
Molecular Formula C25H22O4S
Exact Mass 418.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTR72E88Gfp
Name 3-Hydroxy-6,7,9,11-tetramethyl-2-[(phenylsulfonyl)acetyl]heptalen-1(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O4S
InChI InChI=1S/C25H22O4S/c1-14-12-16(3)20-15(2)10-11-19-22(21(20)17(4)13-14)24(27)25(23(19)26)30(28,29)18-8-6-5-7-9-18/h5-13,26H,1-4H3
InChIKey ZHQRHKKCYXBVDK-UHFFFAOYSA-N
Molecular Weight 418.507 g/mol
SMILES OC=1C2=CC=C(C=3C(=C2C(C1S(=O)(=O)c1ccccc1)=O)C(=CC(C)=CC3C)C)C
SPLASH splash10-014i-0023900000-1db6ea221294958f9769
Source of Spectrum H-82-382-5
Synonyms 3-Hydroxy-6,7,9,11-tetramethyl-2-(phenylsulfonyl)-1H-cyclopenta[a]heptalen-1-one
Wiley ID 815336