| SpectraBase Compound ID | 3u3LMRT8TYe |
|---|---|
| InChI | InChI=1S/C10H8N2O2/c1-12-8-5-3-2-4-7(8)9(10(12)14)11-6-13/h2-5,9H,1H3 |
| InChIKey | UDMAMIFQOVMUIV-UHFFFAOYSA-N |
| Mol Weight | 188.19 g/mol |
| Molecular Formula | C10H8N2O2 |
| Exact Mass | 188.058578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2R1sJJeAr9M |
|---|---|
| Name | 3-Isocyanato-1-methyl-3H-indol-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.058577504 u |
| Formula | C10H8N2O2 |
| InChI | InChI=1S/C10H8N2O2/c1-12-8-5-3-2-4-7(8)9(10(12)14)11-6-13/h2-5,9H,1H3 |
| InChIKey | UDMAMIFQOVMUIV-UHFFFAOYSA-N |
| Molecular Weight | 188.186 g/mol |
| SMILES | C1=CC=C2C(=C1)N(C(C2N=C=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951811 |