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9-oxofluorene-2,7-dicarboxylic acid, bis[3-(dibutylamino)propyl]ester, dihydrochloride, monohydrate
SpectraBase Compound ID D9EWjmSlSku
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
Mol Weight 697.8 g/mol
Molecular Formula C37H58Cl2N2O6
Exact Mass 696.367193 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1vDR8xg5Sro
Name 9-OXOFLUORENE-2,7-DICARBOXYLIC ACID, BIS[3-(DIBUTYLAMINO)PROPYL] ESTER, DIHYDROCHLORIDE, MONOHYDRATE
Source of Sample E. R. Andrews, Merrell-National Laboratories, Cincinnati, Ohio
Copyright Copyright © 1980, 1981-2023 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference J. MED. CHEM. 16, 240(1973)
Melting Point 178-179C
Molecular Weight 697.778992
Synonyms FLUORENE-2,7-DICARBOXYLIC ACID, 9-OXO-, BIS/3-/DIBUTYLAMINO/PROPYL/ ESTER, DIHYDROCHLORIDE, MONOHYDRATE
Technique KBr WAFER