| SpectraBase Spectrum ID |
HTXybnYmf1p |
| Name |
(7S,8S)-1-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H13NO4 |
| InChI |
InChI=1S/C20H13NO4/c22-17-8-6-12-13-4-5-14-16(21(24)25)7-3-10-1-2-11(19(13)18(10)14)9-15(12)20(17)23/h1-9,17,20,22-23H/t17-,20-/m0/s1 |
| InChIKey |
SAMPKXSEJLLYLT-PXNSSMCTSA-N |
| Molecular Weight |
331.327 g/mol |
| SMILES |
O[C@@]1([C@](C=Cc2c3c4c(cc12)ccc1c4c(cc3)c(cc1)N(=O)=O)(O)[H])[H] |
| SPLASH |
splash10-02a9-0096000000-8c4f2db58097afd3e0e1 |
| Source of Spectrum |
J-58-7285-1 |
| Wiley ID |
1328796 |
![(7S,8S)-1-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol](/api/spectrum/HTXybnYmf1p/structure.png?h=300&w=458 "(7S,8S)-1-nitro-7,8-dihydrobenzo[a]pyrene-7,8-diol")
