SpectraBase Spectrum ID |
29B2oy0CpJb |
Name |
3,7-Dimethyl-6-nonen-1-ol acetate |
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/c1-5-11(2)7-6-8-12(3)9-10-15-13(4)14/h7,12H,5-6,8-10H2,1-4H3/b11-7+ |
InChIKey |
XWIYCKNKJXJOIR-YRNVUSSQSA-N |
Molecular Weight |
212.333 g/mol |
SMILES |
C(CCOC(C)=O)(CC\C=C\(CC)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937917 |