SpectraBase Compound ID | 15cdporJr8c |
---|---|
InChI | InChI=1S/C10H20O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1 |
InChIKey | MJONXQBPXHNGIM-UWVGGRQHSA-N |
Mol Weight | 172.27 g/mol |
Molecular Formula | C10H20O2 |
Exact Mass | 172.14633 g/mol |
SpectraBase Spectrum ID | HpHHHPXD5Vn |
---|---|
Name | Trans-1,2-diethoxycyclohexane |
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/c1-3-11-9-7-5-6-8-10(9)12-4-2/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1 |
InChIKey | MJONXQBPXHNGIM-UWVGGRQHSA-N |
Molecular Weight | 172.268 g/mol |
SMILES | CCO[C@@]1([C@](CCCC1)(OCC)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856364 |