SpectraBase Spectrum ID |
9zxHFWUt5dY |
Name |
(R)-6-Benzyloxyhex-4-yn-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.115029753 u |
Formula |
C13H16O2 |
InChI |
InChI=1S/C13H16O2/c1-12(14)7-5-6-10-15-11-13-8-3-2-4-9-13/h2-4,8-9,12,14H,7,10-11H2,1H3/t12-/m1/s1 |
InChIKey |
FBMOMUCQUGPTLB-GFCCVEGCSA-N |
Molecular Weight |
204.269 g/mol |
SMILES |
C[C@](CC#CCOCC=1C=CC=CC1)(O)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840698 |