SpectraBase Compound ID | BOLCxO1JXFr |
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InChI | InChI=1S/C10H20O2/c1-4-12-10-6-8(2)5-9(7-10)11-3/h8-10H,4-7H2,1-3H3 |
InChIKey | UGXGECZSYAVIFJ-UHFFFAOYSA-N |
Mol Weight | 172.27 g/mol |
Molecular Formula | C10H20O2 |
Exact Mass | 172.14633 g/mol |
SpectraBase Spectrum ID | 15t7koZRLv3 |
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Name | 1R-Ethoxy-3-trans-methoxy-5-cis-methylcyclohexane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 172.146329882 u |
Formula | C10H20O2 |
InChI | InChI=1S/C10H20O2/c1-4-12-10-6-8(2)5-9(7-10)11-3/h8-10H,4-7H2,1-3H3 |
InChIKey | UGXGECZSYAVIFJ-UHFFFAOYSA-N |
Molecular Weight | 172.268 g/mol |
SMILES | C1(CC(CC(C1)OC)OCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936337 |