| SpectraBase Spectrum ID |
LUxbbm9TDTq |
| Name |
9-Oxofluorene-2,7-dicarboxylic acid, bis[3-diisopentylamino)propyl]ester, dihydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
734.419228564 u |
| Formula |
C41H64Cl2N2O5 |
| InChI |
InChI=1S/C41H62N2O5.2ClH/c1-29(2)15-21-42(22-16-30(3)4)19-9-25-47-40(45)33-11-13-35-36-14-12-34(28-38(36)39(44)37(35)27-33)41(46)48-26-10-20-43(23-17-31(5)6)24-18-32(7)8;;/h11-14,27-32H,9-10,15-26H2,1-8H3;2*1H |
| InChIKey |
WMMBBOWLRJOPIT-UHFFFAOYSA-N |
| Molecular Weight |
735.878 g/mol |
| SMILES |
C=12C(C=3C=C(C=CC3C1C=CC(=C2)C(OCCCN(CCC(C)C)CCC(C)C)=O)C(OCCCN(CCC(C)C)CCC(C)C)=O)=O.Cl.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.941179 |
![9-Oxofluorene-2,7-dicarboxylic acid, bis[3-diisopentylamino)propyl]ester, dihydrochloride](/api/spectrum/LUxbbm9TDTq/structure.png?h=300&w=458 "9-Oxofluorene-2,7-dicarboxylic acid, bis[3-diisopentylamino)propyl]ester, dihydrochloride")
