| SpectraBase Spectrum ID |
GUfgLnGmpoq |
| Name |
(S)-1-Benzyl-2-[1-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H25NO |
| InChI |
InChI=1S/C25H25NO/c1-18(21-13-15-22(27-3)16-14-21)25-19(2)23-11-7-8-12-24(23)26(25)17-20-9-5-4-6-10-20/h4-16,18H,17H2,1-3H3/t18-/m0/s1 |
| InChIKey |
AYSPWPPVTUYUKL-SFHVURJKSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201709075 |
| Molecular Weight |
355.481 g/mol |
| Optical Rotation |
[a]D23 = -22.8 (c = 0.532, CHCl3) |
| Quality |
113 |
| Reported Formula |
C25H25NO |
| SMILES |
C1=CC=CC2=C1C(=C(N2CC1=CC=CC=C1)[C@@](C)(C=1C=CC(=CC1)OC)[H])C |
| SPLASH |
splash10-052f-2009000000-156879adfb4a4be36c60 |
| Sample Comments |
er = 89:11 |
| Source of Spectrum |
ACI-56-SM118-S-3 (DOI: 10.1002/anie.201709075) |
| Wiley ID |
1896504 |
![(S)-1-Benzyl-2-[1-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole](/api/spectrum/GUfgLnGmpoq/structure.png?h=300&w=458 "(S)-1-Benzyl-2-[1-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole")
