![1-[2-(tert-butylamino)-2-oxoethyl]-2,3,3-trimethyl-3H-indolium](/api/spectrum/AxlaMEaApJB/structure.png?h=300&w=458 "1-[2-(tert-butylamino)-2-oxoethyl]-2,3,3-trimethyl-3H-indolium")
| SpectraBase Compound ID | C58uz6vmo70 |
|---|---|
| InChI | InChI=1S/C17H24N2O/c1-12-17(5,6)13-9-7-8-10-14(13)19(12)11-15(20)18-16(2,3)4/h7-10H,11H2,1-6H3/p+1 |
| InChIKey | BAUYOVAKOWVHHQ-UHFFFAOYSA-O |
| Mol Weight | 273.4 g/mol |
| Molecular Formula | C17H25N2O |
| Exact Mass | 273.196688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AxlaMEaApJB |
|---|---|
| Name | 1-[2-(Tert-butylamino)-2-oxoethyl]-2,3,3-trimethyl-3H-indolium |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.196688432 u |
| Formula | C17H25N2O |
| InChI | InChI=1S/C17H24N2O/c1-12-17(5,6)13-9-7-8-10-14(13)19(12)11-15(20)18-16(2,3)4/h7-10H,11H2,1-6H3/p+1 |
| InChIKey | BAUYOVAKOWVHHQ-UHFFFAOYSA-O |
| Molecular Weight | 273.400 g/mol |
| SMILES | N(C(C[N+]1=C(C(C)(C)C2=C1C=CC=C2)C)=O)C(C)(C)C |