| SpectraBase Compound ID | CbF74zKLb0L |
|---|---|
| InChI | InChI=1S/C11H10/c1-2-6-10-8-4-5-9-11(10)7-3-1/h2-9H,1H2 |
| InChIKey | AATMCCVYMZDTCD-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C11H10 |
| Exact Mass | 142.07825 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DT55sGS2zPI |
|---|---|
| Name | 3,4-Benzo-cycloheptatriene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.078250322 u |
| Formula | C11H10 |
| InChI | InChI=1S/C11H10/c1-2-6-10-8-4-5-9-11(10)7-3-1/h2-9H,1H2 |
| InChIKey | AATMCCVYMZDTCD-UHFFFAOYSA-N |
| Molecular Weight | 142.201 g/mol |
| SMILES | C1C=CC2=CC=CC=C2C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977083 |