| SpectraBase Compound ID | DZcsKB4DI06 |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-11-9-3-6-4(9)8-5(9)7(3)10(6,8)12-2/h3-8H,1-2H3/t3-,4+,5-,6-,7+,8-,9-,10- |
| InChIKey | BHILAYTWKQOKGJ-CCXSZRTASA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 38LRutU9BbR |
|---|---|
| Name | 1,4-Dimethoxycubane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-11-9-3-6-4(9)8-5(9)7(3)10(6,8)12-2/h3-8H,1-2H3/t3-,4+,5-,6-,7+,8-,9-,10- |
| InChIKey | BHILAYTWKQOKGJ-CCXSZRTASA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C12([C@]3([C@@]4(C5(OC)[C@]3([C@]1([C@@]5([C@]24[H])[H])[H])[H])[H])[H])OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936822 |