SpectraBase Spectrum ID |
8K9ylvLzTDY |
Name |
2-[(Z)-1-Hydroxy-7-methylnon-2-en-5-yl]phenol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.177630011 u |
Formula |
C16H24O2 |
InChI |
InChI=1S/C16H24O2/c1-3-13(2)12-14(8-6-7-11-17)15-9-4-5-10-16(15)18/h4-7,9-10,13-14,17-18H,3,8,11-12H2,1-2H3/b7-6- |
InChIKey |
NRGJAEZFBMKKCU-SREVYHEPSA-N |
Molecular Weight |
248.366 g/mol |
SMILES |
C=1(C(CC(CC)C)C\C=C/CO)C(O)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891652 |