SpectraBase Spectrum ID |
LUpvKqHoeZ1 |
Name |
2-Octen-1-ol, 7-ethoxy-3,7-dimethyl-, (E)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
200.177630011 u |
Formula |
C12H24O2 |
InChI |
InChI=1S/C12H24O2/c1-5-14-12(3,4)9-6-7-11(2)8-10-13/h8,13H,5-7,9-10H2,1-4H3/b11-8+ |
InChIKey |
REKGWCWCTWLPJS-DHZHZOJOSA-N |
Molecular Weight |
200.322 g/mol |
SMILES |
CC(CCC\C(=C\CO)C)(OCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986913 |