| SpectraBase Spectrum ID |
KPOiSE0Oo5p |
| Name |
Benzo[a]pyren-9-ol, 10-azido-7,8,9,10-tetrahydro-, benzoate (ester), trans-(.+-.)- |
| CAS Registry Number |
128083-96-5 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H19N3O2 |
| InChI |
InChI=1S/C27H19N3O2/c28-30-29-26-22(32-27(31)18-5-2-1-3-6-18)14-12-20-15-19-10-9-16-7-4-8-17-11-13-21(25(20)26)24(19)23(16)17/h1-11,13,15,22,26H,12,14H2/t22-,26+/m0/s1 |
| InChIKey |
QVYJTXWMPMQBQN-BKMJKUGQSA-N |
| Molecular Weight |
417.468 g/mol |
| SMILES |
c12c3c(ccc4c3c(cc1)ccc4)cc1c2[C@@]([C@@](OC(=O)c2ccccc2)(CC1)[H])(N=[N+]=[N-])[H] |
| SPLASH |
splash10-066r-0591100000-23883d4a613bd28453e0 |
| Source of Spectrum |
J-55-4896-21 |
| Synonyms |
(+-)-trans-10-amino-9-(benzoyloxy)-7,8,9,10-tetrahydro-benzo[a]pyrene
(9S,10S)-10-azido-7,8,9,10-tetrahydrobenzo[def]chrysen-9-yl benzoate |
| Wiley ID |
1376912 |
![Benzo[a]pyren-9-ol, 10-azido-7,8,9,10-tetrahydro-, benzoate (ester), trans-(.+-.)-](/api/spectrum/KPOiSE0Oo5p/structure.png?h=300&w=458 "Benzo[a]pyren-9-ol, 10-azido-7,8,9,10-tetrahydro-, benzoate (ester), trans-(.+-.)-")
