| SpectraBase Compound ID | A1klrQe2ptt |
|---|---|
| InChI | InChI=1S/C8H8N2O/c1-6-9-7-4-2-3-5-8(7)10(6)11/h2-5,9H,1H3 |
| InChIKey | VXOBWUFJHMZZSJ-UHFFFAOYSA-N |
| Mol Weight | 148.16 g/mol |
| Molecular Formula | C8H8N2O |
| Exact Mass | 148.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2pxQVUSAMjL |
|---|---|
| Name | Benzimidazole, 2-methyl-, 3-oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.063662885 u |
| Formula | C8H8N2O |
| InChI | InChI=1S/C8H8N2O/c1-6-9-7-4-2-3-5-8(7)10(6)11/h2-5,9H,1H3 |
| InChIKey | VXOBWUFJHMZZSJ-UHFFFAOYSA-N |
| Molecular Weight | 148.165 g/mol |
| SMILES | C1=2N(=O)=C(NC2C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934879 |