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(2S*,3R*)-1,3-diphenyl-2-methyl-1,4-pentandione
SpectraBase Compound ID 7zbOeM4vY6h
InChI InChI=1S/C18H18O2/c1-13(18(20)16-11-7-4-8-12-16)17(14(2)19)15-9-5-3-6-10-15/h3-13,17H,1-2H3/t13-,17-/m0/s1
InChIKey FFFVUYKDDNKVDS-GUYCJALGSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOHDWtLrgph
Name (2S*,3R*)-1,3-diphenyl-2-methyl-1,4-pentandione
Alternate Name(s) (2S,3R)-2-methyl-1,3-diphenyl-1,4-pentanedione
CAS Registry Number 123703-22-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O2
InChI InChI=1S/C18H18O2/c1-13(18(20)16-11-7-4-8-12-16)17(14(2)19)15-9-5-3-6-10-15/h3-13,17H,1-2H3/t13-,17-/m0/s1
InChIKey FFFVUYKDDNKVDS-GUYCJALGSA-N
Molecular Weight 266.340 g/mol
SMILES [C@](C(=O)c1ccccc1)([C@@](C(=O)C)(c1ccccc1)[H])(C)[H]
SPLASH splash10-0a4i-2930000000-91bedbc3e22d43b8a731
Source of Spectrum F-45-2104-6
Wiley ID 1270619