| SpectraBase Compound ID | BCLcZX6BYZK |
|---|---|
| InChI | InChI=1S/C12H21ClO/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h10-11H,2-9H2,1H3/b12-10- |
| InChIKey | MHKOUVPJKNCKNR-BENRWUELSA-N |
| Mol Weight | 216.75 g/mol |
| Molecular Formula | C12H21ClO |
| Exact Mass | 216.128093 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | eBZhyPIvCA |
|---|---|
| Name | (Z)-2-Chloranyldodec-2-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.128092995 u |
| Formula | C12H21ClO |
| InChI | InChI=1S/C12H21ClO/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h10-11H,2-9H2,1H3/b12-10- |
| InChIKey | MHKOUVPJKNCKNR-BENRWUELSA-N |
| Molecular Weight | 216.752 g/mol |
| SMILES | C(\C=C\(C=O)Cl)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863752 |