| SpectraBase Compound ID | 74RFJglYB4h |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-3-4-9-13-12(14)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,13,14) |
| InChIKey | VYVZZAYSPZXQDQ-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 | CimAVPuXupC |
|---|---|
| Name | Benzamide, 4-methyl-N-butyl- |
| 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/c1-3-4-9-13-12(14)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,13,14) |
| InChIKey | VYVZZAYSPZXQDQ-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C(NCCCC)(=O)C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953979 |