![Pyrano[3,4-b]indol-3(9H)-one](/api/spectrum/8ZQDKzzBBJb/structure.png?h=300&w=458 "Pyrano[3,4-b]indol-3(9H)-one")
| SpectraBase Compound ID | JLytoMu8dqS |
|---|---|
| InChI | InChI=1S/C11H7NO2/c13-11-5-8-7-3-1-2-4-9(7)12-10(8)6-14-11/h1-6,12H |
| InChIKey | GLLABJNUPKLUFQ-UHFFFAOYSA-N |
| Mol Weight | 185.18 g/mol |
| Molecular Formula | C11H7NO2 |
| Exact Mass | 185.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ZQDKzzBBJb |
|---|---|
| Name | Pyrano[3,4-B]indol-3(9H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.047678467 u |
| Formula | C11H7NO2 |
| InChI | InChI=1S/C11H7NO2/c13-11-5-8-7-3-1-2-4-9(7)12-10(8)6-14-11/h1-6,12H |
| InChIKey | GLLABJNUPKLUFQ-UHFFFAOYSA-N |
| Molecular Weight | 185.182 g/mol |
| SMILES | C=12C(NC3=C2C=CC=C3)=COC(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923329 |