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(7-acetoxy-7,8-dihydrobenzo[a]pyren-8-yl) acetate
SpectraBase Compound ID EgTqN79qLnw
InChI InChI=1S/C24H18O4/c1-13(25)27-21-11-10-18-19-9-8-16-5-3-4-15-6-7-17(23(19)22(15)16)12-20(18)24(21)28-14(2)26/h3-12,21,24H,1-2H3
InChIKey VMCIFERSOVGYPJ-UHFFFAOYSA-N
Mol Weight 370.4 g/mol
Molecular Formula C24H18O4
Exact Mass 370.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91QhMSycU3
Name (7-acetoxy-7,8-dihydrobenzo[a]pyren-8-yl) acetate
Alternate Name(s) (7-acetyloxy-7,8-dihydrobenzo[a]pyren-8-yl) acetate (7-acetyloxy-7,8-dihydrobenzo[a]pyren-8-yl) ethanoate Acetic acid (7-acetoxy-7,8-dihydrobenzo[a]pyren-8-yl) ester Acetic acid (7-acetyloxy-7,8-dihydrobenzo[a]pyren-8-yl) ester
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Formula C24H18O4
InChI InChI=1S/C24H18O4/c1-13(25)27-21-11-10-18-19-9-8-16-5-3-4-15-6-7-17(23(19)22(15)16)12-20(18)24(21)28-14(2)26/h3-12,21,24H,1-2H3
InChIKey VMCIFERSOVGYPJ-UHFFFAOYSA-N
Molecular Weight 370.404 g/mol
SMILES c12c(c3ccc4c5c3c(c2)ccc5ccc4)C=CC(C1OC(=O)C)OC(=O)C
SPLASH splash10-014i-1092000000-f72198ce8e83992eeec4
Source of Spectrum KO-15-490-0
Wiley ID 1354614