| SpectraBase Spectrum ID |
HzZvzMSF9bB |
| Name |
Methyl 7-[(4-methoxyphenyl)ethynyl]-2,3-dimethyl-1H-indole-6-carboxylate |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H19NO3 |
| InChI |
InChI=1S/C21H19NO3/c1-13-14(2)22-20-17(13)11-12-19(21(23)25-4)18(20)10-7-15-5-8-16(24-3)9-6-15/h5-6,8-9,11-12,22H,1-4H3 |
| InChIKey |
RFJSESUUCRCWOR-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 |
333.387 g/mol |
| SMILES |
[nH]1c(c(c2c1c(c(cc2)C(OC)=O)C#Cc1ccc(cc1)OC)C)C |
| SPLASH |
splash10-0udi-0019000000-5c1969426f7d241ed5d9 |
| Source of Spectrum |
BJO-8-SM20-4{n,d} |
| Thin-Layer Chromatography |
Rf = 0.35 (cyclohexane/ethyl acetate, 3:1) |
| Wiley ID |
1864934 |
![Methyl 7-[(4-methoxyphenyl)ethynyl]-2,3-dimethyl-1H-indole-6-carboxylate](/api/spectrum/HzZvzMSF9bB/structure.png?h=300&w=458 "Methyl 7-[(4-methoxyphenyl)ethynyl]-2,3-dimethyl-1H-indole-6-carboxylate")
