SpectraBase Spectrum ID |
E319KJfobLn |
Name |
Cyclopentanepropanol, 2,2-dimethyl-1-(1-methylethyl)- |
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/c1-11(2)13(9-6-10-14)8-5-7-12(13,3)4/h11,14H,5-10H2,1-4H3 |
InChIKey |
GFWMIOCUMNRADJ-UHFFFAOYSA-N |
Molecular Weight |
198.350 g/mol |
SMILES |
C1(C(CCC1)(C)C)(C(C)C)CCCO |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803009 |