SpectraBase Spectrum ID |
FvY0RBnz8uj |
Name |
3-[(Cyclohex-1'-enyl)oxy]-1,4-dimethoxybutan-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.151809184 u |
Formula |
C12H22O4 |
InChI |
InChI=1S/C12H22O4/c1-14-8-11(13)12(9-15-2)16-10-6-4-3-5-7-10/h6,11-13H,3-5,7-9H2,1-2H3 |
InChIKey |
DRIMMXHMVQBFMH-UHFFFAOYSA-N |
Molecular Weight |
230.304 g/mol |
SMILES |
C(OC1=CCCCC1)(C(O)COC)COC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967105 |