SpectraBase Compound ID | JrEHkByeYcL |
---|---|
InChI | InChI=1S/C15H26/c1-14(2,3)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,4-10H2,1-3H3 |
InChIKey | YRLLZXGPMJINDC-UHFFFAOYSA-N |
Mol Weight | 206.37 g/mol |
Molecular Formula | C15H26 |
Exact Mass | 206.203451 g/mol |
SpectraBase Spectrum ID | 4i2Ii2oBY13 |
---|---|
Name | 1-(2,2-Dimethylpropyl)adamantane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 206.203450837 u |
Formula | C15H26 |
InChI | InChI=1S/C15H26/c1-14(2,3)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,4-10H2,1-3H3 |
InChIKey | YRLLZXGPMJINDC-UHFFFAOYSA-N |
Molecular Weight | 206.373 g/mol |
SMILES | C12(CC3CC(C2)CC(C1)C3)CC(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958099 |