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3-[(2,5-Dihydroxy-4-methyl-phenyl)-methyl]-pentan-2,4-dione
SpectraBase Compound ID 1ub74zSsQQ2
InChI InChI=1S/C13H16O4/c1-7-4-13(17)10(6-12(7)16)5-11(8(2)14)9(3)15/h4,6,11,16-17H,5H2,1-3H3
InChIKey NRMFVKWUTMLFPH-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZiIvygLTMV
Name 3-[(2,5-Dihydroxy-4-methyl-phenyl)-methyl]-pentan-2,4-dione
Alternate Name(s) 3-(2,5-dihydroxy-4-methylbenzyl)pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-7-4-13(17)10(6-12(7)16)5-11(8(2)14)9(3)15/h4,6,11,16-17H,5H2,1-3H3
InChIKey NRMFVKWUTMLFPH-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200001)342_1_17
Molecular Weight 236.267 g/mol
SMILES Oc1cc(c(cc1C)O)CC(C(C)=O)C(C)=O
SPLASH splash10-0006-9200000000-37249f804e5e1e5f9d69
Source of Spectrum JF-342-20-12
Wiley ID 1766791