| SpectraBase Spectrum ID |
3aD01kSc7Nm |
| Name |
(S)-1-Benzyl-2-{1-[4-(tert-butyl)phenyl]ethyl}-1H-indole-3-carbaldehyde |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.224914557 u |
| Formula |
C28H29NO |
| InChI |
InChI=1S/C28H29NO/c1-20(22-14-16-23(17-15-22)28(2,3)4)27-25(19-30)24-12-8-9-13-26(24)29(27)18-21-10-6-5-7-11-21/h5-17,19-20H,18H2,1-4H3/t20-/m0/s1 |
| InChIKey |
RSMDMQKOBZBHLW-FQEVSTJZSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201709075 |
| Molecular Weight |
395.546 g/mol |
| Optical Rotation |
[a]D23 = -34.8 (c = 1.34, CHCl3) |
| Quality |
85 |
| Reported Formula |
C28H29NO |
| SMILES |
C1=CC=CC2=C1C(=C(N2CC1=CC=CC=C1)[C@@](C)(C=1C=CC(=CC1)C(C)(C)C)[H])C=O |
| SPLASH |
splash10-006y-8098000000-afa52b705e4141f21af5 |
| Sample Comments |
er = 14:86 |
| Source of Spectrum |
ACI-56-SM71-5m (DOI: 10.1002/anie.201709075) |
| Wiley ID |
1896498 |
![(S)-1-Benzyl-2-{1-[4-(tert-butyl)phenyl]ethyl}-1H-indole-3-carbaldehyde](/api/spectrum/3aD01kSc7Nm/structure.png?h=300&w=458 "(S)-1-Benzyl-2-{1-[4-(tert-butyl)phenyl]ethyl}-1H-indole-3-carbaldehyde")
