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rac-6,7-Bis(benzyloxy)-N-(diphenylmethylene)tryptophan Ethyl Ester
SpectraBase Compound ID KZde7MKn1BO
InChI InChI=1S/C40H36N2O4/c1-2-44-40(43)35(42-37(31-19-11-5-12-20-31)32-21-13-6-14-22-32)25-33-26-41-38-34(33)23-24-36(45-27-29-15-7-3-8-16-29)39(38)46-28-30-17-9-4-10-18-30/h3-24,26,35,41H,2,25,27-28H2,1H3
InChIKey UTBHKFNNIMWQEX-UHFFFAOYSA-N
Mol Weight 608.7 g/mol
Molecular Formula C40H36N2O4
Exact Mass 608.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgHBcVemzVa
Name rac-6,7-Bis(benzyloxy)-N-(diphenylmethylene)tryptophan Ethyl Ester
Appearance Yellow viscous oil
Carrier Gas Helium
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Exact Mass 608.267507643 u
Formula C40H36N2O4
GC Oven Program Oven temp 340 oC
InChI InChI=1S/C40H36N2O4/c1-2-44-40(43)35(42-37(31-19-11-5-12-20-31)32-21-13-6-14-22-32)25-33-26-41-38-34(33)23-24-36(45-27-29-15-7-3-8-16-29)39(38)46-28-30-17-9-4-10-18-30/h3-24,26,35,41H,2,25,27-28H2,1H3
InChIKey UTBHKFNNIMWQEX-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 or ThermoElectron Trace DSQ-GC Ultra
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800417
Molecular Weight 608.738 g/mol
Quality 71
Reported Formula C40H36O4N2
SMILES N1C=C(C2=C1C(=C(C=C2)OCC=1C=CC=CC1)OCC=1C=CC=CC1)CC(N=C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OCC
SPLASH splash10-0006-9006133000-e9c6c10b8b4023f296f8
Source of Spectrum K1-2018-2815-30 (DOI: 10.1002/ejoc.201800417)
Thin-Layer Chromatography 0.17 (cyclohexane/EtOAc, 5:1)
Wiley ID 1891690