| SpectraBase Spectrum ID |
25CjSh5JQW |
| Name |
Methyl 7-[4-(tert-butyl)phenyl]-2-methyl-1H-indole-6-carboxylate |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23NO2 |
| InChI |
InChI=1S/C21H23NO2/c1-13-12-15-8-11-17(20(23)24-5)18(19(15)22-13)14-6-9-16(10-7-14)21(2,3)4/h6-12,22H,1-5H3 |
| InChIKey |
WPUCIJLYUJUHCV-UHFFFAOYSA-N |
| Instrument Name |
Kratos MS 50/Thermo Quest Finnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.132 |
| Molecular Weight |
321.420 g/mol |
| Reported Formula |
C21H23NO2 |
| SMILES |
[nH]1c(cc2c1c(c(cc2)C(OC)=O)-c1ccc(cc1)C(C)(C)C)C |
| SPLASH |
splash10-0abl-0598000000-5897c76f08119230ec80 |
| Source of Spectrum |
BJO-8-SM18-4{l,c} |
| Thin-Layer Chromatography |
Rf = 0.68 (cyclohexane/ethyl acetate, 3:1) |
| Wiley ID |
1864926 |
![Methyl 7-[4-(tert-butyl)phenyl]-2-methyl-1H-indole-6-carboxylate](/api/spectrum/25CjSh5JQW/structure.png?h=300&w=458 "Methyl 7-[4-(tert-butyl)phenyl]-2-methyl-1H-indole-6-carboxylate")
