| SpectraBase Spectrum ID |
87vR8ILgZpG |
| Name |
Methyl 7-[4-(tert-butyl)phenyl]-2,3-dimethyl-1H-indole-6-carboxylate |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H25NO2 |
| InChI |
InChI=1S/C22H25NO2/c1-13-14(2)23-20-17(13)11-12-18(21(24)25-6)19(20)15-7-9-16(10-8-15)22(3,4)5/h7-12,23H,1-6H3 |
| InChIKey |
ANURTVCVQPKCMB-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 |
335.447 g/mol |
| Reported Formula |
C22H25NO2 |
| SMILES |
[nH]1c(c(c2c1c(c(cc2)C(OC)=O)-c1ccc(cc1)C(C)(C)C)C)C |
| SPLASH |
splash10-0f8c-0390000000-5bb07da4a3b5de36d82d |
| Source of Spectrum |
BJO-8-SM19-4{l,d} |
| Thin-Layer Chromatography |
Rf = 0.66 (cyclohexane/ethyl acetate, 3:1) |
| Wiley ID |
1864927 |
![Methyl 7-[4-(tert-butyl)phenyl]-2,3-dimethyl-1H-indole-6-carboxylate](/api/spectrum/87vR8ILgZpG/structure.png?h=300&w=458 "Methyl 7-[4-(tert-butyl)phenyl]-2,3-dimethyl-1H-indole-6-carboxylate")
