| SpectraBase Compound ID | 72iAkIvPFZm |
|---|---|
| InChI | InChI=1S/C9H7NO3/c11-5-10-7-4-2-1-3-6(7)8(12)9(10)13/h1-4,11H,5H2 |
| InChIKey | MHGOPQDELUOKPE-UHFFFAOYSA-N |
| Mol Weight | 177.16 g/mol |
| Molecular Formula | C9H7NO3 |
| Exact Mass | 177.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2v6XZO3fEL0 |
|---|---|
| Name | Indole-2,3-dione, 1-(hydroxymethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.042593086 u |
| Formula | C9H7NO3 |
| InChI | InChI=1S/C9H7NO3/c11-5-10-7-4-2-1-3-6(7)8(12)9(10)13/h1-4,11H,5H2 |
| InChIKey | MHGOPQDELUOKPE-UHFFFAOYSA-N |
| Molecular Weight | 177.159 g/mol |
| SMILES | C1=C2C(=CC=C1)C(=O)C(N2CO)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926048 |