| SpectraBase Spectrum ID |
3MhqKSWULth |
| Name |
(S)-1-(Methoxymethyl)-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.152143537 u |
| Formula |
C20H21NO3 |
| InChI |
InChI=1S/C20H21NO3/c1-14(15-8-10-16(24-3)11-9-15)20-18(12-22)17-6-4-5-7-19(17)21(20)13-23-2/h4-12,14H,13H2,1-3H3/t14-/m0/s1 |
| InChIKey |
WLQGFSXUTWUCCQ-AWEZNQCLSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201709075 |
| Molecular Weight |
323.392 g/mol |
| Optical Rotation |
[a]D20 = -51.0 (c = 1.01, CHCl3) |
| Quality |
69 |
| Reported Formula |
C20H21NO3 |
| SMILES |
C1=CC=CC2=C1C(=C(N2COC)[C@@](C)(C=1C=CC(=CC1)OC)[H])C=O |
| SPLASH |
splash10-00di-0669000000-43b92d50a6adf6e8a007 |
| Sample Comments |
er = 86:14 |
| Source of Spectrum |
ACI-56-SM59-5e (DOI: 10.1002/anie.201709075) |
| Wiley ID |
1896493 |
![(S)-1-(Methoxymethyl)-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde](/api/spectrum/3MhqKSWULth/structure.png?h=300&w=458 "(S)-1-(Methoxymethyl)-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde")
