![[(E)-but-2-enyl]cyclopropane](/api/spectrum/4Um73kxNXYy/structure.png?h=300&w=458 "[(E)-but-2-enyl]cyclopropane")
| SpectraBase Compound ID | 1kElmQ7GhRb |
|---|---|
| InChI | InChI=1S/C7H12/c1-2-3-4-7-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+ |
| InChIKey | HFWBELFXCMGIGS-NSCUHMNNSA-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 | 4Um73kxNXYy |
|---|---|
| Name | [(E)-but-2-Enyl]cyclopropane |
| 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/c1-2-3-4-7-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+ |
| InChIKey | HFWBELFXCMGIGS-NSCUHMNNSA-N |
| Molecular Weight | 96.173 g/mol |
| SMILES | C\C=C\CC1CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968376 |