SpectraBase Compound ID | 2tOO2GO9Wh4 |
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InChI | InChI=1S/C9H16O/c10-8-4-7-9-5-2-1-3-6-9/h5,10H,1-4,6-8H2 |
InChIKey | HIBTTXQSNUZXPI-UHFFFAOYSA-N |
Mol Weight | 140.23 g/mol |
Molecular Formula | C9H16O |
Exact Mass | 140.120115 g/mol |
SpectraBase Spectrum ID | E9jo6rT58On |
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Name | 3-(1-Cyclohexenyl)-1-propanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 140.120115134 u |
Formula | C9H16O |
InChI | InChI=1S/C9H16O/c10-8-4-7-9-5-2-1-3-6-9/h5,10H,1-4,6-8H2 |
InChIKey | HIBTTXQSNUZXPI-UHFFFAOYSA-N |
Molecular Weight | 140.226 g/mol |
SMILES | C1(=CCCCC1)CCCO |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933276 |