SpectraBase Compound ID | LKXGIgDKJC1 |
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InChI | InChI=1S/C22H16O3/c1-25-22(24)16-9-10-18(23)17-11-14-6-5-12-3-2-4-13-7-8-15(21(16)17)20(14)19(12)13/h2-8,11,16H,9-10H2,1H3 |
InChIKey | JIDKQUOJEZHZPQ-UHFFFAOYSA-N |
Mol Weight | 328.37 g/mol |
Molecular Formula | C22H16O3 |
Exact Mass | 328.109944 g/mol |
SpectraBase Spectrum ID | K61YqVxcBfy |
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Name | 7-oxo-7,8,9,10-tetrahydrobenzo[a]pyrene-10-carboxylic acid, methyl ester |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C22H16O3 |
InChI | InChI=1S/C22H16O3/c1-25-22(24)16-9-10-18(23)17-11-14-6-5-12-3-2-4-13-7-8-15(21(16)17)20(14)19(12)13/h2-8,11,16H,9-10H2,1H3 |
InChIKey | JIDKQUOJEZHZPQ-UHFFFAOYSA-N |
Instrument Name | Varian CFT-20 |
Sadtler NMR Number | 44587M |
Solvent | CDCl3 |