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1,12-dimethylbenzo[c]phenanthrene-5,8-dicarboxylic acid

View entire compound with spectra: 1 MS (GC)

1,12-dimethylbenzo[c]phenanthrene-5,8-dicarboxylic acid
SpectraBase Compound ID A5iuPIVnP9o
InChI InChI=1S/C22H16O4/c1-11-5-3-7-14-16(21(23)24)9-13-10-17(22(25)26)15-8-4-6-12(2)19(15)20(13)18(11)14/h3-10H,1-2H3,(H,23,24)(H,25,26)
InChIKey JSFIZABOFZLOKI-UHFFFAOYSA-N
Mol Weight 344.37 g/mol
Molecular Formula C22H16O4
Exact Mass 344.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cd51UbFFII4
Name 1,12-dimethylbenzo[c]phenanthrene-5,8-dicarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16O4
InChI InChI=1S/C22H16O4/c1-11-5-3-7-14-16(21(23)24)9-13-10-17(22(25)26)15-8-4-6-12(2)19(15)20(13)18(11)14/h3-10H,1-2H3,(H,23,24)(H,25,26)
InChIKey JSFIZABOFZLOKI-UHFFFAOYSA-N
Molecular Weight 344.366 g/mol
SMILES OC(c1c2c(c3c(cc(C(=O)O)c4c3c(ccc4)C)c1)c(ccc2)C)=O
SPLASH splash10-0006-0019000000-bdd8adb52c6a44f467cb
Source of Spectrum J-63-9506-1
Wiley ID 1338190