| SpectraBase Compound ID | G2uEY4LUwBa |
|---|---|
| InChI | InChI=1S/C11H15NO/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,12,13) |
| InChIKey | JURWPUACOPQKGW-UHFFFAOYSA-N |
| Mol Weight | 177.25 g/mol |
| Molecular Formula | C11H15NO |
| Exact Mass | 177.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 412m7tsjDCa |
|---|---|
| Name | Benzenepentanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.115364106 u |
| Formula | C11H15NO |
| InChI | InChI=1S/C11H15NO/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,12,13) |
| InChIKey | JURWPUACOPQKGW-UHFFFAOYSA-N |
| Molecular Weight | 177.247 g/mol |
| SMILES | C1=C(C=CC=C1)CCCCC(N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848887 |