| SpectraBase Spectrum ID |
21KnEXlitQm |
| Name |
5-Tert.butyloxy carboxamido-2,3,3-trimethyl-3H-indole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.168127954 u |
| Formula |
C16H22N2O2 |
| InChI |
InChI=1S/C16H22N2O2/c1-10-16(5,6)12-9-11(7-8-13(12)17-10)18-14(19)20-15(2,3)4/h7-9H,1-6H3,(H,18,19) |
| InChIKey |
PQBXQVQWQDKVKG-UHFFFAOYSA-N |
| SMILES |
C12=CC(NC(OC(C)(C)C)=O)=CC=C2N=C(C1(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929065 |
