SpectraBase Compound ID | CLFYUO9sFCf |
---|---|
InChI | InChI=1S/C11H18/c1-2-8-4-6-10-7-5-9(3-1)11(8)10/h8-11H,1-7H2 |
InChIKey | QQQZFRUGRBGABW-UHFFFAOYSA-N |
Mol Weight | 150.26 g/mol |
Molecular Formula | C11H18 |
Exact Mass | 150.140851 g/mol |
SpectraBase Spectrum ID | FfLb8Ksu7Mi |
---|---|
Name | Endo-2,8-trimethylene-bicyclo(3.3.0)octane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 150.140850580 u |
Formula | C11H18 |
InChI | InChI=1S/C11H18/c1-2-8-4-6-10-7-5-9(3-1)11(8)10/h8-11H,1-7H2 |
InChIKey | QQQZFRUGRBGABW-UHFFFAOYSA-N |
Molecular Weight | 150.265 g/mol |
SMILES | C12CCC3CCCC(CC2)C13 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968405 |