| SpectraBase Spectrum ID |
733x3fNDxwg |
| Name |
Hexyl 1-nitrobenzo[a]pyrene-6-carboxylate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H23NO4 |
| InChI |
InChI=1S/C27H23NO4/c1-2-3-4-7-16-32-27(29)26-19-9-6-5-8-18(19)20-13-14-21-23(28(30)31)15-11-17-10-12-22(26)25(20)24(17)21/h5-6,8-15H,2-4,7,16H2,1H3 |
| InChIKey |
VZEYLCMHNMSLSU-UHFFFAOYSA-N |
| Molecular Weight |
425.484 g/mol |
| SMILES |
c12c(c(c3ccc4ccc(c5ccc2c3c45)N(=O)=O)C(=O)OCCCCCC)cccc1 |
| SPLASH |
splash10-004i-0032900000-e8c860605459cc72fb64 |
| Source of Spectrum |
U1-2003-3165-6 |
| Synonyms |
1-Nitro-6-benzo[a]pyrenecarboxylic acid hexyl ester
1-Nitrobenzo[a]pyrene-6-carboxylic acid hexyl ester |
| Wiley ID |
1523806 |
![Hexyl 1-nitrobenzo[a]pyrene-6-carboxylate](/api/spectrum/733x3fNDxwg/structure.png?h=300&w=458 "Hexyl 1-nitrobenzo[a]pyrene-6-carboxylate")
