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4-[2-(methylphenethylamino)ethyl]pyrocatechol, fumarate(2:1)(salt)

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

4-[2-(methylphenethylamino)ethyl]pyrocatechol, fumarate(2:1)(salt)
SpectraBase Compound ID 2pLcTHzztHs
InChI InChI=1S/2C17H21NO2.C4H4O4/c2*1-18(11-9-14-5-3-2-4-6-14)12-10-15-7-8-16(19)17(20)13-15;5-3(6)1-2-4(7)8/h2*2-8,13,19-20H,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey SCMIIIRAZKDUEO-WXXKFALUSA-N
Mol Weight 658.79 g/mol
Molecular Formula C38H46N2O8
Exact Mass 658.325416 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JN0trDAIjmb
Name 4-[2-(METHYLPHENETHYLAMINO)ETHYL]PYROCATECHOL, FUMARATE (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 C17H21NO2 1/2C4H4O4
InChI InChI=1S/2C17H21NO2.C4H4O4/c2*1-18(11-9-14-5-3-2-4-6-14)12-10-15-7-8-16(19)17(20)13-15;5-3(6)1-2-4(7)8/h2*2-8,13,19-20H,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey SCMIIIRAZKDUEO-WXXKFALUSA-N
Molecular Weight 658.80
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PYROCATECHOL, 4-/2-/METHYLPHENETHYLAMINO/ETHYL/-, FUMARATE /2 TO 1/ /SALT/