| SpectraBase Spectrum ID |
4jKEHzKtHnk |
| Name |
Phosphoric acid,di-(4-nitrophenyl) [1-(2-bromo-5-phenanthrenyl)-2-(diheptylamino)ethyl] ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
833.244065540 u |
| Formula |
C42H49BrN3O8P |
| InChI |
InChI=1S/C42H49BrN3O8P/c1-3-5-7-9-13-27-44(28-14-10-8-6-4-2)31-42(41-29-32-15-11-12-16-38(32)40-30-33(43)17-26-39(40)41)54-55(51,52-36-22-18-34(19-23-36)45(47)48)53-37-24-20-35(21-25-37)46(49)50/h11-12,15-26,29-30,42H,3-10,13-14,27-28,31H2,1-2H3 |
| InChIKey |
QLLMUSQPLKDKLD-UHFFFAOYSA-N |
| Molecular Weight |
834.745 g/mol |
| SMILES |
C(CN(CCCCCCC)CCCCCCC)(C1=C2C(=C3C(=C1)C=CC=C3)C=C(C=C2)Br)OP(OC1=CC=C(C=C1)N(=O)=O)(OC1=CC=C(C=C1)N(=O)=O)=O |
![Phosphoric acid,di-(4-nitrophenyl) [1-(2-bromo-5-phenanthrenyl)-2-(diheptylamino)ethyl] ester](/api/spectrum/4jKEHzKtHnk/structure.png?h=300&w=458 "Phosphoric acid,di-(4-nitrophenyl) [1-(2-bromo-5-phenanthrenyl)-2-(diheptylamino)ethyl] ester")
