| SpectraBase Compound ID | 2ZBu6WLDTuf |
|---|---|
| InChI | InChI=1S/C11H13NO/c13-11-7-6-10(12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13) |
| InChIKey | UJTLWBQZNAXBAQ-UHFFFAOYSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C11H13NO |
| Exact Mass | 175.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IrRp1XrV4SD |
|---|---|
| Name | 5-Benzyl-2-pyrrolidinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.099714042 u |
| Formula | C11H13NO |
| InChI | InChI=1S/C11H13NO/c13-11-7-6-10(12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13) |
| InChIKey | UJTLWBQZNAXBAQ-UHFFFAOYSA-N |
| Molecular Weight | 175.231 g/mol |
| SMILES | C1(NC(CC1)=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974902 |