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1,1-Dimethylethyl 1-[1-(4-fluorophenyl)-1H-indol-3-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
SpectraBase Compound ID 3BzdGRI2OCX
InChI InChI=1S/C28H27FN2O2/c1-28(2,3)33-27(32)30-17-16-19-8-4-5-9-22(19)26(30)24-18-31(21-14-12-20(29)13-15-21)25-11-7-6-10-23(24)25/h4-15,18,26H,16-17H2,1-3H3
InChIKey RJNYTAWNQKIFEH-UHFFFAOYSA-N
Mol Weight 442.53 g/mol
Molecular Formula C28H27FN2O2
Exact Mass 442.205656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1m0yW2mm0Y
Name 1,1-Dimethylethyl 1-[1-(4-fluorophenyl)-1H-indol-3-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
Appearance Colorless solid
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Formula C28H27FN2O2
InChI InChI=1S/C28H27FN2O2/c1-28(2,3)33-27(32)30-17-16-19-8-4-5-9-22(19)26(30)24-18-31(21-14-12-20(29)13-15-21)25-11-7-6-10-23(24)25/h4-15,18,26H,16-17H2,1-3H3
InChIKey RJNYTAWNQKIFEH-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI positive ion
Literature Reference DOI 10.3762/bjoc.10.226
Molecular Weight 442.534 g/mol
Reported Formula C28H27FN2O2
SMILES c1cc2c(cc1)C(N(CC2)C(OC(C)(C)C)=O)c1c[n](c2c1cccc2)-c1ccc(cc1)F
SPLASH splash10-000x-1918000000-64fcf5393f3e3ffc0196
Source of Spectrum BJO-10-SM10-7d
Thin-Layer Chromatography Rf = 0.54 (PE/EtOAc, 5:1)
Wiley ID 1854011