SpectraBase Spectrum ID |
6hlv2UtueUA |
Name |
cis-3-Nonen-1-ol, 2-methylpropionate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
212.177630011 u |
Formula |
C13H24O2 |
InChI |
InChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-11-15-13(14)12(2)3/h8-9,12H,4-7,10-11H2,1-3H3/b9-8- |
InChIKey |
RHKUOFZPBHYKQY-HJWRWDBZSA-N |
Molecular Weight |
212.333 g/mol |
SMILES |
CCCCC\C=C/CCOC(C(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866978 |