![Bicyclo[8.2.0]dodecan-11-one, 12-chloro-](/api/spectrum/1wAfM5GFqhd/structure.png?h=300&w=458 "Bicyclo[8.2.0]dodecan-11-one, 12-chloro-")
| SpectraBase Compound ID | 1Pu09H4euxR |
|---|---|
| InChI | InChI=1S/C12H19ClO/c13-11-9-7-5-3-1-2-4-6-8-10(9)12(11)14/h9-11H,1-8H2 |
| InChIKey | TXDKKRLSFZNCJD-UHFFFAOYSA-N |
| Mol Weight | 214.74 g/mol |
| Molecular Formula | C12H19ClO |
| Exact Mass | 214.112443 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1wAfM5GFqhd |
|---|---|
| Name | Bicyclo[8.2.0]dodecan-11-one, 12-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.112442931 u |
| Formula | C12H19ClO |
| InChI | InChI=1S/C12H19ClO/c13-11-9-7-5-3-1-2-4-6-8-10(9)12(11)14/h9-11H,1-8H2 |
| InChIKey | TXDKKRLSFZNCJD-UHFFFAOYSA-N |
| Molecular Weight | 214.736 g/mol |
| SMILES | C1CCC2C(CCCCC1)C(C2Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83276 |