SpectraBase Compound ID | HsbfPA4hbaZ |
---|---|
InChI | InChI=1S/C11H20O/c1-8-6-7-11(3,4)10(8)9(2)12-5/h9H,6-7H2,1-5H3 |
InChIKey | XYWUXXQMDVNRKL-UHFFFAOYSA-N |
Mol Weight | 168.28 g/mol |
Molecular Formula | C11H20O |
Exact Mass | 168.151415 g/mol |
SpectraBase Spectrum ID | BarHSw7ay58 |
---|---|
Name | 1-(1-Methoxyethyl)-2,2,5-trimethylcyclopent-5-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 168.151415263 u |
Formula | C11H20O |
InChI | InChI=1S/C11H20O/c1-8-6-7-11(3,4)10(8)9(2)12-5/h9H,6-7H2,1-5H3 |
InChIKey | XYWUXXQMDVNRKL-UHFFFAOYSA-N |
Molecular Weight | 168.280 g/mol |
SMILES | C1(=C(CCC1(C)C)C)C(OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978687 |