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Dibenzo[c,l]chrysene-8-carboxylic acid, methyl ester

View entire compound with spectra: 1 NMR, and 3 MS (GC)

Dibenzo[c,l]chrysene-8-carboxylic acid, methyl ester
SpectraBase Compound ID 98RieFHwCKv
InChI InChI=1S/C28H18O2/c1-30-28(29)24-16-20-13-11-17-6-2-4-8-21(17)25(20)23-15-14-19-12-10-18-7-3-5-9-22(18)26(19)27(23)24/h2-16H,1H3
InChIKey QWQLTJLAKCJRDR-UHFFFAOYSA-N
Mol Weight 386.45 g/mol
Molecular Formula C28H18O2
Exact Mass 386.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zKD0HcaQ1o
Name Dibenzo[C,L]chrysene-8-carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.130679818 u
Formula C28H18O2
InChI InChI=1S/C28H18O2/c1-30-28(29)24-16-20-13-11-17-6-2-4-8-21(17)25(20)23-15-14-19-12-10-18-7-3-5-9-22(18)26(19)27(23)24/h2-16H,1H3
InChIKey QWQLTJLAKCJRDR-UHFFFAOYSA-N
Molecular Weight 386.450 g/mol
SMILES C(=O)(C1=CC2=CC=C3C=CC=CC3=C2C=2C1=C1C3=CC=CC=C3C=CC1=CC2)OC