| SpectraBase Compound ID | 22zVi8IEVuW |
|---|---|
| InChI | InChI=1S/C5H8N2O/c6-5(8)4-2-1-3-7-4/h1-2,4,7H,3H2,(H2,6,8) |
| InChIKey | JMUVYFOYOQNXDU-UHFFFAOYSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C5H8N2O |
| Exact Mass | 112.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 67aiQ3l2QFu |
|---|---|
| Name | (+)-3,4-dehydroproline amide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.063662885 u |
| Formula | C5H8N2O |
| InChI | InChI=1S/C5H8N2O/c6-5(8)4-2-1-3-7-4/h1-2,4,7H,3H2,(H2,6,8) |
| InChIKey | JMUVYFOYOQNXDU-UHFFFAOYSA-N |
| Molecular Weight | 112.132 g/mol |
| SMILES | C1NC(C=C1)C(N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841574 |