![Bicyclo[2.1.0]pentane, 1,4-dimethyl-](/api/spectrum/oYiJOeZfmA/structure.png?h=300&w=458 "Bicyclo[2.1.0]pentane, 1,4-dimethyl-")
| SpectraBase Compound ID | 58pKNNHlgom |
|---|---|
| InChI | InChI=1S/C7H12/c1-6-3-4-7(6,2)5-6/h3-5H2,1-2H3 |
| InChIKey | GPBOEIMNJNTXIT-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 | oYiJOeZfmA |
|---|---|
| Name | Bicyclo[2.1.0]pentane, 1,4-dimethyl- |
| 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/c1-6-3-4-7(6,2)5-6/h3-5H2,1-2H3 |
| InChIKey | GPBOEIMNJNTXIT-UHFFFAOYSA-N |
| Molecular Weight | 96.173 g/mol |
| SMILES | C12(CCC2(C)C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903352 |