| SpectraBase Compound ID | HIVuuIoQzLB |
|---|---|
| InChI | InChI=1S/C10H8N2O/c1-12-9-5-3-2-4-7(9)8(6-11)10(12)13/h2-5,8H,1H3 |
| InChIKey | WKCMLGITDSVTIL-UHFFFAOYSA-N |
| Mol Weight | 172.19 g/mol |
| Molecular Formula | C10H8N2O |
| Exact Mass | 172.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Luc9mJPEupz |
|---|---|
| Name | 3-Cyano-1-methyl-2(3H)-indolone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.063662885 u |
| Formula | C10H8N2O |
| InChI | InChI=1S/C10H8N2O/c1-12-9-5-3-2-4-7(9)8(6-11)10(12)13/h2-5,8H,1H3 |
| InChIKey | WKCMLGITDSVTIL-UHFFFAOYSA-N |
| Molecular Weight | 172.187 g/mol |
| SMILES | C1(N(C=2C=CC=CC2C1C#N)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861285 |