| SpectraBase Spectrum ID |
LaQoySv3btF |
| Name |
9-Oxofluorene-2,7-dicarboxylic acid, bis[3-(dibutylamino)propyl]ester, dihydrochloride, monohydrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
696.367192990 u |
| Formula |
C37H58Cl2N2O6 |
| InChI |
InChI=1S/C37H54N2O5.2ClH.H2O/c1-5-9-19-38(20-10-6-2)23-13-25-43-36(41)29-15-17-31-32-18-16-30(28-34(32)35(40)33(31)27-29)37(42)44-26-14-24-39(21-11-7-3)22-12-8-4;;;/h15-18,27-28H,5-14,19-26H2,1-4H3;2*1H;1H2 |
| InChIKey |
QFFXNBYHVJDIMR-UHFFFAOYSA-N |
| Molecular Weight |
697.785 g/mol |
| SMILES |
C=12C(C=3C=C(C=CC3C1C=CC(=C2)C(OCCCN(CCCC)CCCC)=O)C(OCCCN(CCCC)CCCC)=O)=O.Cl.Cl.O |
| Spectrum/Structure Validation Score (Raman) |
0.907279 |
![9-Oxofluorene-2,7-dicarboxylic acid, bis[3-(dibutylamino)propyl]ester, dihydrochloride, monohydrate](/api/spectrum/LaQoySv3btF/structure.png?h=300&w=458 "9-Oxofluorene-2,7-dicarboxylic acid, bis[3-(dibutylamino)propyl]ester, dihydrochloride, monohydrate")
