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3-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl Pentanoate
SpectraBase Compound ID mhgQT4V0ug
InChI InChI=1S/C20H24O5/c1-4-5-10-16(21)25-12-20(2,3)11-15-17(22)13-8-6-7-9-14(13)18(23)19(15)24/h6-9,24H,4-5,10-12H2,1-3H3
InChIKey FKTWPBLZMBOVBI-UHFFFAOYSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68FqQNHFSbP
Name 3-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl Pentanoate
Appearance Yellow needles
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Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-4-5-10-16(21)25-12-20(2,3)11-15-17(22)13-8-6-7-9-14(13)18(23)19(15)24/h6-9,24H,4-5,10-12H2,1-3H3
InChIKey FKTWPBLZMBOVBI-UHFFFAOYSA-N
Instrument Name GCMS-QP-5050A
Ionization Type EI
Literature Reference DOI 10.1021/jm901545z
Molecular Weight 344.407 g/mol
SMILES OC1=C(C(c2ccccc2C1=O)=O)CC(COC(CCCC)=O)(C)C
SPLASH splash10-0006-0190000000-40344fbdfef0c31fe493
Source of Spectrum AF-53-SM5-26
Wiley ID 1846334