| SpectraBase Compound ID | J0rzbWkKvSM |
|---|---|
| InChI | InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h3-6,8H,2,7H2,1H3 |
| InChIKey | YRNJEIGNLYDKQJ-UHFFFAOYSA-N |
| Mol Weight | 108.18 g/mol |
| Molecular Formula | C8H12 |
| Exact Mass | 108.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 34mnY1xUtpy |
|---|---|
| Name | 1,3-Cyclohexadiene, 5-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.093900386 u |
| Formula | C8H12 |
| InChI | InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h3-6,8H,2,7H2,1H3 |
| InChIKey | YRNJEIGNLYDKQJ-UHFFFAOYSA-N |
| Molecular Weight | 108.184 g/mol |
| SMILES | C=1C(CC=CC1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854697 |