| SpectraBase Compound ID | 27gCzMjcdMC |
|---|---|
| InChI | InChI=1S/C9H8N2O/c1-10-8-6-4-2-3-5-7(6)9(12)11-8/h2-5H,1H3,(H,10,11,12) |
| InChIKey | RSFIHRYMTCYNGC-UHFFFAOYSA-N |
| Mol Weight | 160.18 g/mol |
| Molecular Formula | C9H8N2O |
| Exact Mass | 160.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1uYACxvzBBF |
|---|---|
| Name | 3-Amino-1H-isoindol-1-one, N-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.063662885 u |
| Formula | C9H8N2O |
| InChI | InChI=1S/C9H8N2O/c1-10-8-6-4-2-3-5-7(6)9(12)11-8/h2-5H,1H3,(H,10,11,12) |
| InChIKey | RSFIHRYMTCYNGC-UHFFFAOYSA-N |
| Molecular Weight | 160.176 g/mol |
| SMILES | C1(NC)=NC(=O)C=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90716 |