![Pyrano[3,4-b]indol-3(9H)-one, 1-phenyl-](/api/spectrum/5aP51tOl8fF/structure.png?h=300&w=458 "Pyrano[3,4-b]indol-3(9H)-one, 1-phenyl-")
| SpectraBase Compound ID | 1PE3EHILUY1 |
|---|---|
| InChI | InChI=1S/C17H11NO2/c19-15-10-13-12-8-4-5-9-14(12)18-16(13)17(20-15)11-6-2-1-3-7-11/h1-10,18H |
| InChIKey | QDAFQMKMIWXKBH-UHFFFAOYSA-N |
| Mol Weight | 261.28 g/mol |
| Molecular Formula | C17H11NO2 |
| Exact Mass | 261.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5aP51tOl8fF |
|---|---|
| Name | Pyrano[3,4-B]indol-3(9H)-one, 1-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.078978596 u |
| Formula | C17H11NO2 |
| InChI | InChI=1S/C17H11NO2/c19-15-10-13-12-8-4-5-9-14(12)18-16(13)17(20-15)11-6-2-1-3-7-11/h1-10,18H |
| InChIKey | QDAFQMKMIWXKBH-UHFFFAOYSA-N |
| SMILES | C=12C(C=3C=CC=CC3N2)=CC(OC1C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940478 |