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3-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl Acetate
SpectraBase Compound ID 84sqAkxiHez
InChI InChI=1S/C17H18O5/c1-10(18)22-9-17(2,3)8-13-14(19)11-6-4-5-7-12(11)15(20)16(13)21/h4-7,21H,8-9H2,1-3H3
InChIKey BTUNKZYSOWTPER-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJJjSvqgFgT
Name 3-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl Acetate
Appearance Yellow needles
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Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-10(18)22-9-17(2,3)8-13-14(19)11-6-4-5-7-12(11)15(20)16(13)21/h4-7,21H,8-9H2,1-3H3
InChIKey BTUNKZYSOWTPER-UHFFFAOYSA-N
Instrument Name GCMS-QP-5050A
Ionization Type EI
Literature Reference DOI 10.1021/jm901545z
Molecular Weight 302.326 g/mol
SMILES OC1=C(C(c2ccccc2C1=O)=O)CC(COC(C)=O)(C)C
SPLASH splash10-03fr-0490000000-6db0136bab23fd180a70
Source of Spectrum AF-53-SM2-18
Wiley ID 1846326