9-Oxofluorene-2,7-dicarboxylic acid, bis[3-(dipropylamino)propyl] ester, dihydrochloride

SpectraBase Compound ID	ALnFJcdSyh1
InChI	InChI=1S/C33H46N2O5.2ClH/c1-5-15-34(16-6-2)19-9-21-39-32(37)25-11-13-27-28-14-12-26(24-30(28)31(36)29(27)23-25)33(38)40-22-10-20-35(17-7-3)18-8-4;;/h11-14,23-24H,5-10,15-22H2,1-4H3;2*1H
InChIKey	ZCOCZQTWZWLMJL-UHFFFAOYSA-N Google Search
Mol Weight	623.7 g/mol
Molecular Formula	C33H48Cl2N2O5
Exact Mass	622.294028 g/mol

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SpectraBase Spectrum ID	9lBI9JHSm5I
Name	9-Oxofluorene-2,7-dicarboxylic acid, bis[3-(dipropylamino)propyl] ester, dihydrochloride
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	622.294028049 u
Formula	C33H48Cl2N2O5
InChI	InChI=1S/C33H46N2O5.2ClH/c1-5-15-34(16-6-2)19-9-21-39-32(37)25-11-13-27-28-14-12-26(24-30(28)31(36)29(27)23-25)33(38)40-22-10-20-35(17-7-3)18-8-4;;/h11-14,23-24H,5-10,15-22H2,1-4H3;2*1H
InChIKey	ZCOCZQTWZWLMJL-UHFFFAOYSA-N
Molecular Weight	623.662 g/mol
SMILES	C1=C(C=CC2=C1C(=O)C=1C=C(C=CC21)C(=O)OCCCN(CCC)CCC)C(=O)OCCCN(CCC)CCC.Cl.Cl
Spectrum/Structure Validation Score (Raman)	0.953379