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Diacetate of 4,5-dihydroxy-4,5-dihydropyrene

View entire compound with spectra: 1 MS (GC)

Diacetate of 4,5-dihydroxy-4,5-dihydropyrene
SpectraBase Compound ID 5HMMfKAtQCu
InChI InChI=1S/C20H16O4/c1-11(21)23-19-15-7-3-5-13-9-10-14-6-4-8-16(18(14)17(13)15)20(19)24-12(2)22/h3-10,19-20H,1-2H3/t19-,20+
InChIKey MKXBOSBEJCRGJY-BGYRXZFFSA-N
Mol Weight 320.34 g/mol
Molecular Formula C20H16O4
Exact Mass 320.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpfKMt4EBda
Name Diacetate of 4,5-dihydroxy-4,5-dihydropyrene
Alternate Name(s) 4,5-bis(Acetoxy)-4,5-dihydropyrene 5-(acetyloxy)-4,5-dihydro-4-pyrenyl acetate Acetic acid (4R,5S)-5-acetoxy-4,5-dihydro-pyren-4-yl ester
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Formula C20H16O4
InChI InChI=1S/C20H16O4/c1-11(21)23-19-15-7-3-5-13-9-10-14-6-4-8-16(18(14)17(13)15)20(19)24-12(2)22/h3-10,19-20H,1-2H3/t19-,20+
InChIKey MKXBOSBEJCRGJY-BGYRXZFFSA-N
Molecular Weight 320.344 g/mol
SMILES [C@@]1([C@@](c2c3c(ccc4c3c1ccc4)ccc2)(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-014i-0090000000-ebdce2930f9f481ee918
Source of Spectrum BW-2001-0-289
Wiley ID 811412