SpectraBase Compound ID | FxBNrhFPtro |
---|---|
InChI | InChI=1S/C7H13ClO/c1-2-3-4-5-7(8)6-9/h5,9H,2-4,6H2,1H3/b7-5- |
InChIKey | OYPNXWZXYGSAIF-ALCCZGGFSA-N |
Mol Weight | 148.63 g/mol |
Molecular Formula | C7H13ClO |
Exact Mass | 148.065493 g/mol |
SpectraBase Spectrum ID | 8ch3tb4iiXb |
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Name | (Z)-2-Chlorohept-2-en-1-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 148.065492738 u |
Formula | C7H13ClO |
InChI | InChI=1S/C7H13ClO/c1-2-3-4-5-7(8)6-9/h5,9H,2-4,6H2,1H3/b7-5- |
InChIKey | OYPNXWZXYGSAIF-ALCCZGGFSA-N |
Molecular Weight | 148.633 g/mol |
SMILES | C(\C=C\(Cl)CO)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94325 |