SpectraBase Compound ID | 5OBo1BkCkPW |
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InChI | InChI=1S/C9H15Cl/c1-2-3-4-5-6-7-8-9-10/h6-9H,2-5H2,1H3/b7-6+,9-8+ |
InChIKey | XPODHYXMGYVFRC-BLHCBFLLSA-N |
Mol Weight | 158.67 g/mol |
Molecular Formula | C9H15Cl |
Exact Mass | 158.086228 g/mol |
SpectraBase Spectrum ID | 7UeOSmmcb52 |
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Name | (1E,3E)-1-Chloro-1,3-nonadiene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 158.086228183 u |
Formula | C9H15Cl |
InChI | InChI=1S/C9H15Cl/c1-2-3-4-5-6-7-8-9-10/h6-9H,2-5H2,1H3/b7-6+,9-8+ |
InChIKey | XPODHYXMGYVFRC-BLHCBFLLSA-N |
Molecular Weight | 158.672 g/mol |
SMILES | C(\C=C\C=C\Cl)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890981 |