SpectraBase Spectrum ID |
Dc1swAz2dIP |
Name |
3-[1-(1,3-Dioxa-2-methylpentyl)cyclobutyl]pentan-3-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.188194694 u |
Formula |
C13H26O3 |
InChI |
InChI=1S/C13H26O3/c1-5-12(14,6-2)13(9-8-10-13)16-11(4)15-7-3/h11,14H,5-10H2,1-4H3 |
InChIKey |
JOXNLSHZKPAWMW-UHFFFAOYSA-N |
Molecular Weight |
230.348 g/mol |
SMILES |
C1(OC(OCC)C)(C(O)(CC)CC)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878181 |