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9-oxofluorene-2,7-dicarboxylic acid, bis[2-(diethylamino)-1,1-dimethylethyl] ester, dihydrochloride, hemihydrate

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9-oxofluorene-2,7-dicarboxylic acid, bis[2-(diethylamino)-1,1-dimethylethyl] ester, dihydrochloride, hemihydrate
SpectraBase Compound ID 5oaap8knw9P
InChI InChI=1S/2C31H42N2O5.4ClH.H2O/c2*1-9-32(10-2)19-30(5,6)37-28(35)21-13-15-23-24-16-14-22(18-26(24)27(34)25(23)17-21)29(36)38-31(7,8)20-33(11-3)12-4;;;;;/h2*13-18H,9-12,19-20H2,1-8H3;4*1H;1H2
InChIKey HICHGMHICQZUNB-UHFFFAOYSA-N
Mol Weight 604.6 g/mol
Molecular Formula C31H44Cl2N2O5·½H2O
Exact Mass 603.26801 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LOzAf9OAzII
Name 9-OXOFLUORENE-2,7-DICARBOXYLIC ACID, BIS[2-(DIETHYLAMINO)-1,1-DIMETHYLETHYL] ESTER, DIHYDROCHLORIDE, HEMIHYDRATE
Source of Sample E. R. Andrews, Merrell-National Laboratories, Cincinnati, Ohio
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C62H90Cl4N4O11
InChI InChI=1S/2C31H42N2O5.4ClH.H2O/c2*1-9-32(10-2)19-30(5,6)37-28(35)21-13-15-23-24-16-14-22(18-26(24)27(34)25(23)17-21)29(36)38-31(7,8)20-33(11-3)12-4;;;;;/h2*13-18H,9-12,19-20H2,1-8H3;4*1H;1H2
InChIKey HICHGMHICQZUNB-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 16, 240(1973)
Melting Point 204-206C
Molecular Weight 1209.218994
Synonyms FLUORENE-2,7-DICARBOXYLIC ACID, 9-OXO-, BIS/2-/DIETHYLAMINO/-1,1- DIMETHYLETHYL/ ESTER, DIHYDROCHLORIDE, HEMIHYDRATE
Technique KBr WAFER