| SpectraBase Compound ID | 9m7XqNJBFHE |
|---|---|
| InChI | InChI=1S/C7H12/c1-3-7(4-2)5-6-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | PBCCLZOPAWAFQF-UHFFFAOYSA-N |
| Mol Weight | 96.17 g/mol |
| Molecular Formula | C7H12 |
| Exact Mass | 96.0939 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9HxR4v8Ibpy |
|---|---|
| Name | Cyclopropene, 3,3-diethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.093900386 u |
| Formula | C7H12 |
| InChI | InChI=1S/C7H12/c1-3-7(4-2)5-6-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | PBCCLZOPAWAFQF-UHFFFAOYSA-N |
| Molecular Weight | 96.173 g/mol |
| SMILES | C1=CC1(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944585 |