| SpectraBase Compound ID | DoNdeeCrSgy |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-9(2)8-13-12(14)11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3,(H,13,14) |
| InChIKey | NIHPGNMGODURLK-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 | HyoQuLbvO4U |
|---|---|
| Name | Benzamide, 3-methyl-N-isobutyl- |
| 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(2)8-13-12(14)11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3,(H,13,14) |
| InChIKey | NIHPGNMGODURLK-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C(NCC(C)C)(=O)C=1C=CC=C(C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955825 |