![Ethyl 6-[1'-(tert-butoxycarbonyl)indol-3'-yl]-2-chlorohexanoate](/api/spectrum/HkgmnQDow0f/structure.png?h=300&w=458 "Ethyl 6-[1'-(tert-butoxycarbonyl)indol-3'-yl]-2-chlorohexanoate")
| SpectraBase Compound ID | BCTrPxJrggy |
|---|---|
| InChI | InChI=1S/C21H28ClNO4/c1-5-26-19(24)17(22)12-8-6-10-15-14-23(20(25)27-21(2,3)4)18-13-9-7-11-16(15)18/h7,9,11,13-14,17H,5-6,8,10,12H2,1-4H3 |
| InChIKey | SNLXQYGGFYUQKM-UHFFFAOYSA-N |
| Mol Weight | 393.91 g/mol |
| Molecular Formula | C21H28ClNO4 |
| Exact Mass | 393.170686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HkgmnQDow0f |
|---|---|
| Name | Ethyl 6-[1'-(tert-butoxycarbonyl)indol-3'-yl]-2-chlorohexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.170686082 u |
| Formula | C21H28ClNO4 |
| InChI | InChI=1S/C21H28ClNO4/c1-5-26-19(24)17(22)12-8-6-10-15-14-23(20(25)27-21(2,3)4)18-13-9-7-11-16(15)18/h7,9,11,13-14,17H,5-6,8,10,12H2,1-4H3 |
| InChIKey | SNLXQYGGFYUQKM-UHFFFAOYSA-N |
| Molecular Weight | 393.911 g/mol |
| SMILES | C(N1C=C(CCCCC(C(=O)OCC)Cl)C2=C1C=CC=C2)(OC(C)(C)C)=O |