SpectraBase Spectrum ID |
sLos42lxJ9 |
Name |
2-[1-(1-Ethoxy-ethoxy)-cyclobutyl]-butan-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
216.172544630 u |
Formula |
C12H24O3 |
InChI |
InChI=1S/C12H24O3/c1-5-11(4,13)12(8-7-9-12)15-10(3)14-6-2/h10,13H,5-9H2,1-4H3 |
InChIKey |
IBBPNQGUFFLJBA-UHFFFAOYSA-N |
Molecular Weight |
216.321 g/mol |
SMILES |
C1(OC(OCC)C)(C(O)(CC)C)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879376 |