| SpectraBase Spectrum ID |
HecL2DDzI5e |
| Name |
7-OAc-5-nitro-BaP |
| Alternate Name(s) |
5-Nitrobenzo[def]chrysen-7-yl acetate
7-Acetoxy-5-nitrobenzo[a]pyrene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H13NO4 |
| InChI |
InChI=1S/C22H13NO4/c1-12(24)27-19-10-4-7-15-14-6-2-5-13-11-18(23(25)26)16-8-3-9-17(21(15)19)22(16)20(13)14/h2-11H,1H3 |
| InChIKey |
DUYHFLKGXYPOEH-UHFFFAOYSA-N |
| Molecular Weight |
355.349 g/mol |
| SMILES |
c12c3c4c5cccc(c5c2cccc1c(N(=O)=O)cc3ccc4)OC(=O)C |
| SPLASH |
splash10-08fr-0019000000-287a5bd1d0fb7662b7b9 |
| Source of Spectrum |
OP-27-599-9 |
| Wiley ID |
850639 |
