| SpectraBase Spectrum ID |
Bb4nzt1q7cE |
| Name |
(trans)-7,8-bis(Benzoyloxy)-7,8,9,10-tetrahydro-3-nitrobenzo[a]pyrene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H23NO6 |
| InChI |
InChI=1S/C34H23NO6/c36-33(21-7-3-1-4-8-21)40-29-18-16-24-25-14-11-20-13-17-28(35(38)39)26-15-12-23(31(25)30(20)26)19-27(24)32(29)41-34(37)22-9-5-2-6-10-22/h1-15,17,19,29,32H,16,18H2/t29-,32-/m0/s1 |
| InChIKey |
GKDLUCQMBJLSAL-NYDCQLBNSA-N |
| Molecular Weight |
541.559 g/mol |
| SMILES |
c12c(c3ccc4c5c3c(c2)ccc5c(N(=O)=O)cc4)CC[C@@]([C@]1(OC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H] |
| SPLASH |
splash10-06r6-0210090000-68ea9ef8855ace71bbd5 |
| Source of Spectrum |
CRT-6-604-6 |
| Wiley ID |
1709337 |
![(trans)-7,8-bis(Benzoyloxy)-7,8,9,10-tetrahydro-3-nitrobenzo[a]pyrene](/api/spectrum/Bb4nzt1q7cE/structure.png?h=300&w=458 "(trans)-7,8-bis(Benzoyloxy)-7,8,9,10-tetrahydro-3-nitrobenzo[a]pyrene")
