| SpectraBase Compound ID | DB6cGd0JtCE |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-9-7-5-6-8-10(9)11(14)13-12(2,3)4/h5-8H,1-4H3,(H,13,14) |
| InChIKey | SHVJWMYCHXFRMF-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1GGIENlTZWT |
|---|---|
| Name | N-(Tert-butyl)-2-methylbenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-9-7-5-6-8-10(9)11(14)13-12(2,3)4/h5-8H,1-4H3,(H,13,14) |
| InChIKey | SHVJWMYCHXFRMF-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | CC(NC(=O)C1=C(C=CC=C1)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943544 |