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1,1-Dimethylethyl 1-[1-(4-methoxyphenyl)-1H-indol-3-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
SpectraBase Compound ID I79kmVKMZWg
InChI InChI=1S/C29H30N2O3/c1-29(2,3)34-28(32)30-18-17-20-9-5-6-10-23(20)27(30)25-19-31(26-12-8-7-11-24(25)26)21-13-15-22(33-4)16-14-21/h5-16,19,27H,17-18H2,1-4H3
InChIKey QBXPZOSQHHCRQE-UHFFFAOYSA-N
Mol Weight 454.57 g/mol
Molecular Formula C29H30N2O3
Exact Mass 454.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hen2022WNl
Name 1,1-Dimethylethyl 1-[1-(4-methoxyphenyl)-1H-indol-3-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
Appearance Colorless solid
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Formula C29H30N2O3
InChI InChI=1S/C29H30N2O3/c1-29(2,3)34-28(32)30-18-17-20-9-5-6-10-23(20)27(30)25-19-31(26-12-8-7-11-24(25)26)21-13-15-22(33-4)16-14-21/h5-16,19,27H,17-18H2,1-4H3
InChIKey QBXPZOSQHHCRQE-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI positive ion
Literature Reference DOI 10.3762/bjoc.10.226
Molecular Weight 454.570 g/mol
Reported Formula C29H30N2O3
SMILES c1cc2c(cc1)C(N(CC2)C(OC(C)(C)C)=O)c1c[n](c2c1cccc2)-c1ccc(cc1)OC
SPLASH splash10-0ue9-0719000000-b6f55bed216663af3f4f
Source of Spectrum BJO-10-SM9-7b
Thin-Layer Chromatography Rf = 0.48 (PE/EtOAc, 5:1)
Wiley ID 1854009