| SpectraBase Compound ID | 3VOJPxRvymd |
|---|---|
| InChI | InChI=1S/C10H12N2O/c11-10(13)12-7-6-9(12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,13) |
| InChIKey | HIWUELDHNAVQDI-UHFFFAOYSA-N |
| Mol Weight | 176.22 g/mol |
| Molecular Formula | C10H12N2O |
| Exact Mass | 176.094963 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Iayp8EVEbdR |
|---|---|
| Name | 2-Phenyl-1-azetidinecarboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.094963013 u |
| Formula | C10H12N2O |
| InChI | InChI=1S/C10H12N2O/c11-10(13)12-7-6-9(12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,13) |
| InChIKey | HIWUELDHNAVQDI-UHFFFAOYSA-N |
| SMILES | NC(N1CCC1C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.976898 |