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(7-Acetoxy-7,8-dihydrobenzo[A]pyren-8-yl) acetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Is461NA5fOt
Name (7-Acetoxy-7,8-dihydrobenzo[A]pyren-8-yl) acetate
Comments Computed using HOSE algorithm
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Exact Mass 370.120509056 u
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 C1=2C(=C3C=CC=4C5=C3C(C2)=CC=C5C=CC4)C=CC(C1OC(=O)C)OC(=O)C