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1,3,5-tris[4'-(Methylsulfonyl)phenyl]pentane-1,5-dione
SpectraBase Compound ID o2XK5smFzi
InChI InChI=1S/C26H26O8S3/c1-35(29,30)22-10-4-18(5-11-22)21(16-25(27)19-6-12-23(13-7-19)36(2,31)32)17-26(28)20-8-14-24(15-9-20)37(3,33)34/h4-15,21H,16-17H2,1-3H3
InChIKey IUZQIBKINAIKID-UHFFFAOYSA-N
Mol Weight 562.67 g/mol
Molecular Formula C26H26O8S3
Exact Mass 562.078981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYYjfBWAtVy
Name 1,3,5-tris[4'-(Methylsulfonyl)phenyl]pentane-1,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O8S3
InChI InChI=1S/C26H26O8S3/c1-35(29,30)22-10-4-18(5-11-22)21(16-25(27)19-6-12-23(13-7-19)36(2,31)32)17-26(28)20-8-14-24(15-9-20)37(3,33)34/h4-15,21H,16-17H2,1-3H3
InChIKey IUZQIBKINAIKID-UHFFFAOYSA-N
Molecular Weight 562.666 g/mol
SMILES c1(S(=O)(=O)C)ccc(C(CC(CC(c2ccc(S(=O)(=O)C)cc2)=O)c2ccc(S(=O)(=O)C)cc2)=O)cc1
SPLASH splash10-001i-0951000000-1f0281765972242d4cee
Source of Spectrum G-55-110-0
Synonyms 1,3,5-tris[4-(methylsulfonyl)phenyl]-1,5-pentanedione
Wiley ID 748241