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4-[2-(diphenethylamino)ethyl]pyrocatechol, oxalate(2:1)(salt)

View entire compound with spectra: 2 NMR, and 1 FTIR

4-[2-(diphenethylamino)ethyl]pyrocatechol, oxalate(2:1)(salt)
SpectraBase Compound ID 237BNGnVtwM
InChI InChI=1S/2C24H27NO2.C2H2O4/c2*26-23-12-11-22(19-24(23)27)15-18-25(16-13-20-7-3-1-4-8-20)17-14-21-9-5-2-6-10-21;3-1(4)2(5)6/h2*1-12,19,26-27H,13-18H2;(H,3,4)(H,5,6)
InChIKey BBAWAKWAACUTCE-UHFFFAOYSA-N
Mol Weight 813.0 g/mol
Molecular Formula C50H56N2O8
Exact Mass 812.403667 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CdkJV1RMHtF
Name 4-[2-(DIPHENETHYLAMINO)ETHYL]PYROCATECHOL, OXALATE (2:1) (SALT)
Source of Sample L. NEDELEC, ROUSSEL-UCLAF RESEARCH CENTER, ROMAINVILLE, FRANCE
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H56N2O8
InChI InChI=1S/2C24H27NO2.C2H2O4/c2*26-23-12-11-22(19-24(23)27)15-18-25(16-13-20-7-3-1-4-8-20)17-14-21-9-5-2-6-10-21;3-1(4)2(5)6/h2*1-12,19,26-27H,13-18H2;(H,3,4)(H,5,6)
InChIKey BBAWAKWAACUTCE-UHFFFAOYSA-N
Literature Reference EUR. J. MED. CHEM. 13, 553(1978) Abstract-Chemical Abstracts= 90, 168185(1979)
Molecular Weight 813.004028
Synonyms PYROCATECHOL, 4-/2-/DIPHENETHYL- AMINO/ETHYL/-, OXALATE /2 TO 1/ /SALT/
Technique KBr WAFER