| SpectraBase Spectrum ID |
HJE60Qs8QIT |
| Name |
6-[3'-Oxopentyl]-benzo[a]pyrene |
| Alternate Name(s) |
1-Benzo[def]chrysen-6-yl-3-pentanone
1-(6-benzo[b]pyrenyl)-3-pentanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H20O |
| InChI |
InChI=1S/C25H20O/c1-2-18(26)12-15-21-19-8-3-4-9-20(19)22-13-10-16-6-5-7-17-11-14-23(21)25(22)24(16)17/h3-11,13-14H,2,12,15H2,1H3 |
| InChIKey |
FRLDGQFDACINQN-UHFFFAOYSA-N |
| Molecular Weight |
336.434 g/mol |
| SMILES |
c12c3c(CCC(=O)CC)c4c(c2ccc2c1c(cc3)ccc2)cccc4 |
| SPLASH |
splash10-014r-0096000000-e1c69f56379a9e9f7164 |
| Source of Spectrum |
U1-2003-3170-13 |
| Wiley ID |
1523795 |
![6-[3'-Oxopentyl]-benzo[a]pyrene](/api/spectrum/HJE60Qs8QIT/structure.png?h=300&w=458 "6-[3'-Oxopentyl]-benzo[a]pyrene")
