| SpectraBase Spectrum ID |
EzW4CudWNnV |
| Name |
(S)-1-(3,5-Dimethylbenzyl)-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
![(S)-1-(3,5-Dimethylbenzyl)-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde](/api/spectrum/EzW4CudWNnV/structure.png?h=300&w=458 "(S)-1-(3,5-Dimethylbenzyl)-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde")
