SpectraBase Spectrum ID |
Im0yp9g2m1q |
Name |
2-(4-Methoxyphenyl)-2-(2,2,2-trifluoroethoxy)-3,3-dimethyloxetane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
290.112978893 u |
Formula |
C14H17F3O3 |
InChI |
InChI=1S/C14H17F3O3/c1-12(2)8-19-14(12,20-9-13(15,16)17)10-4-6-11(18-3)7-5-10/h4-7H,8-9H2,1-3H3 |
InChIKey |
WVBFJSQRJXLYLP-UHFFFAOYSA-N |
Molecular Weight |
290.282 g/mol |
SMILES |
C1(C(C)(C)CO1)(OCC(F)(F)F)C=1C=CC(=CC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818122 |