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(S)-1-(3,5-Dimethylbenzyl)-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde
SpectraBase Compound ID 6J8AxiPg5Vx
InChI InChI=1S/C27H27NO2/c1-18-13-19(2)15-21(14-18)16-28-26-8-6-5-7-24(26)25(17-29)27(28)20(3)22-9-11-23(30-4)12-10-22/h5-15,17,20H,16H2,1-4H3/t20-/m0/s1
InChIKey OELONDUJKBFPPB-FQEVSTJZSA-N
Mol Weight 397.52 g/mol
Molecular Formula C27H27NO2
Exact Mass 397.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzW4CudWNnV
Name (S)-1-(3,5-Dimethylbenzyl)-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde
Appearance Yellow solid
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Exact Mass 397.204179111 u
Formula C27H27NO2
InChI InChI=1S/C27H27NO2/c1-18-13-19(2)15-21(14-18)16-28-26-8-6-5-7-24(26)25(17-29)27(28)20(3)22-9-11-23(30-4)12-10-22/h5-15,17,20H,16H2,1-4H3/t20-/m0/s1
InChIKey OELONDUJKBFPPB-FQEVSTJZSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201709075
Molecular Weight 397.518 g/mol
Optical Rotation [a]D23 = -43.4 (c = 1.62, CHCl3)
Quality 96
Reported Formula C27H27NO2
SMILES C1=CC=CC2=C1C(=C(N2CC1=CC(=CC(=C1)C)C)[C@@](C)(C=1C=CC(=CC1)OC)[H])C=O
SPLASH splash10-00os-1395000000-47f600a988413c362eea
Sample Comments er = 91:9
Source of Spectrum ACI-56-SM67-5j (DOI: 10.1002/anie.201709075)
Wiley ID 1896496