SpectraBase Spectrum ID |
7jFQQPrlVXR |
Name |
(S)-(+)-2-benzyloxyhexan-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
208.146329882 u |
Formula |
C13H20O2 |
InChI |
InChI=1S/C13H20O2/c1-2-3-9-13(10-14)15-11-12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-11H2,1H3/t13-/m0/s1 |
InChIKey |
KEPUSUKIQYZAJG-ZDUSSCGKSA-N |
Molecular Weight |
208.301 g/mol |
SMILES |
C(O[C@](CO)(CCCC)[H])C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945813 |