![7-Chlorobicyclo[4.1.0]hept-3-ene](/api/spectrum/4IuEzOg2ev3/structure.png?h=300&w=458 "7-Chlorobicyclo[4.1.0]hept-3-ene")
| SpectraBase Compound ID | KqNDYIGFPBE |
|---|---|
| InChI | InChI=1S/C7H9Cl/c8-7-5-3-1-2-4-6(5)7/h1-2,5-7H,3-4H2 |
| InChIKey | PANSNGZQOBWBMJ-UHFFFAOYSA-N |
| Mol Weight | 128.6 g/mol |
| Molecular Formula | C7H9Cl |
| Exact Mass | 128.039278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4IuEzOg2ev3 |
|---|---|
| Name | 7-Chlorobicyclo[4.1.0]hept-3-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.039277990 u |
| Formula | C7H9Cl |
| InChI | InChI=1S/C7H9Cl/c8-7-5-3-1-2-4-6(5)7/h1-2,5-7H,3-4H2 |
| InChIKey | PANSNGZQOBWBMJ-UHFFFAOYSA-N |
| Molecular Weight | 128.602 g/mol |
| SMILES | C1C2C(C2Cl)CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.819129 |