| SpectraBase Compound ID | CEfipkk6Bbm |
|---|---|
| InChI | InChI=1S/C10H7NO3/c1-11(14)8-9(12)6-4-2-3-5-7(6)10(8)13/h2-5H,1H3 |
| InChIKey | YXXUYWBICCBQJM-UHFFFAOYSA-N |
| Mol Weight | 189.17 g/mol |
| Molecular Formula | C10H7NO3 |
| Exact Mass | 189.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Vn7y9ao8Gb |
|---|---|
| Name | Indan-1,3-dione, 2-methylimine, N-oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.042593086 u |
| Formula | C10H7NO3 |
| InChI | InChI=1S/C10H7NO3/c1-11(14)8-9(12)6-4-2-3-5-7(6)10(8)13/h2-5H,1H3 |
| InChIKey | YXXUYWBICCBQJM-UHFFFAOYSA-N |
| Molecular Weight | 189.170 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C(C2=O)=N(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951442 |