| SpectraBase Spectrum ID |
3UvG57p30y |
| Name |
Methyl 7-chloro-2,3-dimethyl-1H-indole-4-carboxylate |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12ClNO2 |
| InChI |
InChI=1S/C12H12ClNO2/c1-6-7(2)14-11-9(13)5-4-8(10(6)11)12(15)16-3/h4-5,14H,1-3H3 |
| InChIKey |
YJDFHMGOPGJOHQ-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 |
237.686 g/mol |
| Reported Formula |
C12H13ClNO2 |
| SMILES |
[nH]1c(c(c2c(ccc(c12)Cl)C(OC)=O)C)C |
| SPLASH |
splash10-002r-1690000000-a5b227b09c3f42581505 |
| Source of Spectrum |
BJO-8-SM17-4{h,d} |
| Thin-Layer Chromatography |
Rf = 0.60 (cyclohexane/ethyl acetate, 3:1) |
| Wiley ID |
1864922 |
