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1,3-Pentanedione, 1-(2-hydroxy-4-methoxyphenyl)-5-phenyl-
SpectraBase Compound ID DIwAY4A3jQF
InChI InChI=1S/C18H18O4/c1-22-15-9-10-16(18(21)12-15)17(20)11-14(19)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,21H,7-8,11H2,1H3
InChIKey GLXXLWZPWLMKCF-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVpUtaRxiCm
Name 1,3-Pentanedione, 1-(2-hydroxy-4-methoxyphenyl)-5-phenyl-
Alternate Name(s) 1-(2-Hydroxy-3-methoxyphenyl)-5-phenylpentane-1,3-dione 1-(2-hydroxy-4-methoxyphenyl)-5-phenyl-1,3-pentanedione
CAS Registry Number 68592-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-22-15-9-10-16(18(21)12-15)17(20)11-14(19)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,21H,7-8,11H2,1H3
InChIKey GLXXLWZPWLMKCF-UHFFFAOYSA-N
Molecular Weight 298.338 g/mol
SMILES Oc1c(C(CC(=O)CCc2ccccc2)=O)ccc(OC)c1
SPLASH splash10-0fr7-2930000000-0ea0148835f03a537a02
Source of Spectrum B-29-2034-0
Wiley ID 1301070