| SpectraBase Compound ID | JpHAX57u7z8 |
|---|---|
| InChI | InChI=1S/C11H9NO2/c1-2-7-12-9-6-4-3-5-8(9)10(13)11(12)14/h2-6H,1,7H2 |
| InChIKey | ZWNYDPBLEDGGQD-UHFFFAOYSA-N |
| Mol Weight | 187.2 g/mol |
| Molecular Formula | C11H9NO2 |
| Exact Mass | 187.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BJpRoZlcO9k |
|---|---|
| Name | 1-Allyl-1H-indole-2,3-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.063328532 u |
| Formula | C11H9NO2 |
| InChI | InChI=1S/C11H9NO2/c1-2-7-12-9-6-4-3-5-8(9)10(13)11(12)14/h2-6H,1,7H2 |
| InChIKey | ZWNYDPBLEDGGQD-UHFFFAOYSA-N |
| Molecular Weight | 187.198 g/mol |
| SMILES | C1(N(C2=CC=CC=C2C1=O)CC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943909 |