| SpectraBase Spectrum ID |
6TQjnsM0nYW |
| Name |
(S)-1-(2,2-Difluoroethyl)-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 |
343.138385180 u |
| Formula |
C20H19F2NO2 |
| InChI |
InChI=1S/C20H19F2NO2/c1-13(14-7-9-15(25-2)10-8-14)20-17(12-24)16-5-3-4-6-18(16)23(20)11-19(21)22/h3-10,12-13,19H,11H2,1-2H3/t13-/m0/s1 |
| InChIKey |
PVNHCIMFYQEXNL-ZDUSSCGKSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201709075 |
| Molecular Weight |
343.374 g/mol |
| Optical Rotation |
[a]D23 = -77.5 (c = 1.50, CHCl3) |
| Quality |
126 |
| Reported Formula |
C20H19F2NO2 |
| SMILES |
C1=CC=CC2=C1C(=C(N2CC(F)F)[C@@](C)(C=1C=CC(=CC1)OC)[H])C=O |
| SPLASH |
splash10-002f-0129000000-62e13357539865e63cf7 |
| Sample Comments |
er = 94:6 |
| Source of Spectrum |
ACI-56-SM61-5f (DOI: 10.1002/anie.201709075) |
| Wiley ID |
1896494 |
![(S)-1-(2,2-Difluoroethyl)-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde](/api/spectrum/6TQjnsM0nYW/structure.png?h=300&w=458 "(S)-1-(2,2-Difluoroethyl)-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde")
