SpectraBase Spectrum ID |
Gl8qx52gnlw |
Name |
Cyclopentanol, 2-(3,3-dimethylbutyl)-3,5-dimethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
198.198365456 u |
Formula |
C13H26O |
InChI |
InChI=1S/C13H26O/c1-9-8-10(2)12(14)11(9)6-7-13(3,4)5/h9-12,14H,6-8H2,1-5H3 |
InChIKey |
AGILOKCHPLVJRF-UHFFFAOYSA-N |
Molecular Weight |
198.350 g/mol |
SMILES |
C1(C(C(C)CC1C)O)CCC(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951277 |