SpectraBase Compound ID | HY3XXEYsmv3 |
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InChI | InChI=1S/C10H18O/c1-2-3-9-11-10-7-5-4-6-8-10/h5,7,10H,2-4,6,8-9H2,1H3 |
InChIKey | JWKFRDMLQAHNPM-UHFFFAOYSA-N |
Mol Weight | 154.25 g/mol |
Molecular Formula | C10H18O |
Exact Mass | 154.135765 g/mol |
SpectraBase Spectrum ID | 4xGUFr2x7d2 |
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Name | 3-Butoxycyclohex-1-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 154.135765199 u |
Formula | C10H18O |
InChI | InChI=1S/C10H18O/c1-2-3-9-11-10-7-5-4-6-8-10/h5,7,10H,2-4,6,8-9H2,1H3 |
InChIKey | JWKFRDMLQAHNPM-UHFFFAOYSA-N |
Molecular Weight | 154.253 g/mol |
SMILES | C1=CCCCC1OCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960986 |