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3-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl Nonanoate
SpectraBase Compound ID LGsQk3sGYEE
InChI InChI=1S/C24H32O5/c1-4-5-6-7-8-9-14-20(25)29-16-24(2,3)15-19-21(26)17-12-10-11-13-18(17)22(27)23(19)28/h10-13,28H,4-9,14-16H2,1-3H3
InChIKey LHBSCHLREFKFDN-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EbAYMhbBP
Name 3-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl Nonanoate
Appearance Yellow needles
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Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-4-5-6-7-8-9-14-20(25)29-16-24(2,3)15-19-21(26)17-12-10-11-13-18(17)22(27)23(19)28/h10-13,28H,4-9,14-16H2,1-3H3
InChIKey LHBSCHLREFKFDN-UHFFFAOYSA-N
Instrument Name GCMS-QP-5050A
Ionization Type EI
Literature Reference DOI 10.1021/jm901545z
Molecular Weight 400.515 g/mol
SMILES OC1=C(C(c2ccccc2C1=O)=O)CC(COC(CCCCCCCC)=O)(C)C
SPLASH splash10-000f-0910000000-865cab8af29989121ae3
Source of Spectrum AF-53-SM8-33
Wiley ID 1846340