| SpectraBase Compound ID | 3KerPmLtuVp |
|---|---|
| InChI | InChI=1S/C8H13ClO/c1-2-3-4-5-8(10)6-7-9/h6-7H,2-5H2,1H3/b7-6+ |
| InChIKey | YLTBAANDCZGTCR-VOTSOKGWSA-N |
| Mol Weight | 160.64 g/mol |
| Molecular Formula | C8H13ClO |
| Exact Mass | 160.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AZEXOfzvVUP |
|---|---|
| Name | (E)-1-Chloranyloct-1-en-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.065492738 u |
| Formula | C8H13ClO |
| InChI | InChI=1S/C8H13ClO/c1-2-3-4-5-8(10)6-7-9/h6-7H,2-5H2,1H3/b7-6+ |
| InChIKey | YLTBAANDCZGTCR-VOTSOKGWSA-N |
| Molecular Weight | 160.644 g/mol |
| SMILES | C(\C=C\Cl)(=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975233 |