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Valerophenone, 5'-valeryl-3',3'''-methylenebis[6'-hydroxy-
SpectraBase Compound ID 7vtZKO7rKZb
InChI InChI=1S/C28H36O5/c1-4-7-10-24(29)21-16-19(13-14-27(21)32)15-20-17-22(25(30)11-8-5-2)28(33)23(18-20)26(31)12-9-6-3/h13-14,16-18,32-33H,4-12,15H2,1-3H3
InChIKey LSYSDZYJJKAKBD-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C28H36O5
Exact Mass 452.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXvYkxw04pK
Name Valerophenone, 5'-valeryl-3',3'''-methylenebis[6'-hydroxy-
Alternate Name(s) 1-[2-hydroxy-5-(4-hydroxy-3-valeryl-benzyl)-3-valeryl-phenyl]pentan-1-one 1-[2-hydroxy-5-[(4-hydroxy-3-pentanoyl-phenyl)methyl]-3-pentanoyl-phenyl]pentan-1-one 1-[2-hydroxy-5-[[4-hydroxy-3-(1-oxopentyl)phenyl]methyl]-3-(1-oxopentyl)phenyl]-1-pentanone 1-[2-oxidanyl-5-[(4-oxidanyl-3-pentanoyl-phenyl)methyl]-3-pentanoyl-phenyl]pentan-1-one
CAS Registry Number 33342-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O5
InChI InChI=1S/C28H36O5/c1-4-7-10-24(29)21-16-19(13-14-27(21)32)15-20-17-22(25(30)11-8-5-2)28(33)23(18-20)26(31)12-9-6-3/h13-14,16-18,32-33H,4-12,15H2,1-3H3
InChIKey LSYSDZYJJKAKBD-UHFFFAOYSA-N
Molecular Weight 452.591 g/mol
SMILES Oc1ccc(Cc2cc(c(c(c2)C(CCCC)=O)O)C(CCCC)=O)cc1C(CCCC)=O
SPLASH splash10-0002-0219500000-6e0bd142cf6b337ff676
Source of Spectrum O-5-517-12
Wiley ID 1388355