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1-Phenyl-2-tosyl-1,4-pentanodione
SpectraBase Compound ID 6GYPKsILPAe
InChI InChI=1S/C18H18O4S/c1-13-8-10-16(11-9-13)23(21,22)17(12-14(2)19)18(20)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3
InChIKey ZYUTXBSYOVZEGA-UHFFFAOYSA-N
Mol Weight 330.4 g/mol
Molecular Formula C18H18O4S
Exact Mass 330.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXkLNFYWL4w
Name 1-Phenyl-2-tosyl-1,4-pentanodione
Alternate Name(s) 2-[(4-methylphenyl)sulfonyl]-1-phenyl-1,4-pentanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O4S
InChI InChI=1S/C18H18O4S/c1-13-8-10-16(11-9-13)23(21,22)17(12-14(2)19)18(20)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3
InChIKey ZYUTXBSYOVZEGA-UHFFFAOYSA-N
Molecular Weight 330.398 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(=O)c1ccccc1)CC(=O)C
SPLASH splash10-0a6u-9610000000-1b91ec05cfb21c87447c
Source of Spectrum F-51-2772-10
Wiley ID 791410