| SpectraBase Spectrum ID |
LqsEnL8dDrA |
| Name |
(1R*,5S*,Z)-1-Methoxy-2-(4-(trifluoromethyl)benzylidene)-3-oxabicyclo[3.1.0]hexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.086764146 u |
| Formula |
C14H13F3O2 |
| InChI |
InChI=1S/C14H13F3O2/c1-18-13-7-11(13)8-19-12(13)6-9-2-4-10(5-3-9)14(15,16)17/h2-6,11H,7-8H2,1H3/b12-6-/t11-,13+/m1/s1 |
| InChIKey |
CNJZEGLFJCITQY-AZPVHRIVSA-N |
| Molecular Weight |
270.251 g/mol |
| SMILES |
C=1(\C=C\2OC[C@@]3([C@]2(C3)OC)[H])C=CC(=CC1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950164 |
![(1R*,5S*,Z)-1-methoxy-2-(4-(trifluoromethyl)benzylidene)-3-oxabicyclo[3.1.0]hexane](/api/spectrum/LqsEnL8dDrA/structure.png?h=300&w=458 "(1R*,5S*,Z)-1-methoxy-2-(4-(trifluoromethyl)benzylidene)-3-oxabicyclo[3.1.0]hexane")
