| SpectraBase Compound ID | 7ZUI5x0z5vt |
|---|---|
| InChI | InChI=1S/C10H13ClO/c1-2-4-8-5-3-6-9(7-12)10(8)11/h5,7H,2-4,6H2,1H3 |
| InChIKey | NNJCGXPDYHTLQY-UHFFFAOYSA-N |
| Mol Weight | 184.67 g/mol |
| Molecular Formula | C10H13ClO |
| Exact Mass | 184.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9U1ybUpkEWY |
|---|---|
| Name | 2-Chloro-3-propylcyclohexa-1,3-diene-1-carbaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.065492738 u |
| Formula | C10H13ClO |
| InChI | InChI=1S/C10H13ClO/c1-2-4-8-5-3-6-9(7-12)10(8)11/h5,7H,2-4,6H2,1H3 |
| InChIKey | NNJCGXPDYHTLQY-UHFFFAOYSA-N |
| Molecular Weight | 184.666 g/mol |
| SMILES | C(=O)C1=C(C(=CCC1)CCC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967509 |