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(S)-2-Isopropyl-1-phenyl-1,4-pentanedione
SpectraBase Compound ID 5Mbk5VmqRjI
InChI InChI=1S/C14H18O2/c1-10(2)13(9-11(3)15)14(16)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3/t13-/m0/s1
InChIKey MLKAQOZAWIMXQM-ZDUSSCGKSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qqtjF28EAH
Name (S)-2-Isopropyl-1-phenyl-1,4-pentanedione
Alternate Name(s) (2S)-2-isopropyl-1-phenyl-1,4-pentanedione (S)-2-Isopentyl-1-phenyl-1,4-pentanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-10(2)13(9-11(3)15)14(16)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3/t13-/m0/s1
InChIKey MLKAQOZAWIMXQM-ZDUSSCGKSA-N
Molecular Weight 218.296 g/mol
SMILES C([C@@](CC(=O)C)(C(C)C)[H])(=O)c1ccccc1
SPLASH splash10-0a4i-3900000000-4a8f0871b18e43ee5c05
Source of Spectrum F-62-9180-6
Wiley ID 1640713