SpectraBase Spectrum ID |
1TNJMJWR1TX |
Name |
(2R)-2-[(4-Fluoranylphenoxy)methyl]oxirane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
168.058657691 u |
Formula |
C9H9FO2 |
InChI |
InChI=1S/C9H9FO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2/t9-/m0/s1 |
InChIKey |
CGWDABYOHPEOAD-VIFPVBQESA-N |
Molecular Weight |
168.167 g/mol |
SMILES |
[C@@]1(OC1)(COC=1C=CC(=CC1)F)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911829 |