| SpectraBase Compound ID | BdfYGHl5dzN |
|---|---|
| InChI | InChI=1S/C9H12N2O2/c10-9(13)8(12)6-11-7-4-2-1-3-5-7/h1-5,8,11-12H,6H2,(H2,10,13) |
| InChIKey | KZZQAGQXEDUKMN-UHFFFAOYSA-N |
| Mol Weight | 180.21 g/mol |
| Molecular Formula | C9H12N2O2 |
| Exact Mass | 180.089878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CoWLI2oijoU |
|---|---|
| Name | 3-Anilinolactamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.089877632 u |
| Formula | C9H12N2O2 |
| InChI | InChI=1S/C9H12N2O2/c10-9(13)8(12)6-11-7-4-2-1-3-5-7/h1-5,8,11-12H,6H2,(H2,10,13) |
| InChIKey | KZZQAGQXEDUKMN-UHFFFAOYSA-N |
| Molecular Weight | 180.207 g/mol |
| SMILES | C1=C(C=CC=C1)NCC(C(N)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814337 |