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Dimethyl naphtho[3,4-a]phenanthrene-1,2-dicarboxylate
SpectraBase Compound ID 4dlWf2AoZ4q
InChI InChI=1S/C26H18O4/c1-29-25(27)23-20-14-12-15-7-3-5-9-17(15)21(20)19-13-11-16-8-4-6-10-18(16)22(19)24(23)26(28)30-2/h3-14H,1-2H3
InChIKey MGKFVEURXZYIHL-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C26H18O4
Exact Mass 394.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGj5YPP8lZe
Name Dimethyl naphtho[3,4-A]phenanthrene-1,2-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 394.120509056 u
Formula C26H18O4
InChI InChI=1S/C26H18O4/c1-29-25(27)23-20-14-12-15-7-3-5-9-17(15)21(20)19-13-11-16-8-4-6-10-18(16)22(19)24(23)26(28)30-2/h3-14H,1-2H3
InChIKey MGKFVEURXZYIHL-UHFFFAOYSA-N
Molecular Weight 394.426 g/mol
SMILES C1(=C(C=2C=CC3=C(C2C2=C1C1=C(C=C2)C=CC=C1)C=CC=C3)C(=O)OC)C(=O)OC