| SpectraBase Spectrum ID |
A14kYjKAnjM |
| Name |
(1S,3S)-(+-)-benzyl 2-{2-methyl-3-[4-(trifluoromethyl)benzoyl]cyclopropyl}acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.128628958 u |
| Formula |
C21H19F3O3 |
| InChI |
InChI=1S/C21H19F3O3/c1-13-17(11-18(25)27-12-14-5-3-2-4-6-14)19(13)20(26)15-7-9-16(10-8-15)21(22,23)24/h2-10,13,17,19H,11-12H2,1H3/t13?,17-,19-/m0/s1 |
| InChIKey |
KJYDXAKHKOBDDW-LNXOFFIKSA-N |
| Molecular Weight |
376.375 g/mol |
| SMILES |
[C@@]1([C@@](CC(=O)OCC2=CC=CC=C2)(C1C)[H])(C(C1=CC=C(C(F)(F)F)C=C1)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952669 |
![(1S,3S)-(+-)-benzyl 2-{2-methyl-3-[4-(trifluoromethyl)benzoyl]cyclopropyl}acetate](/api/spectrum/A14kYjKAnjM/structure.png?h=300&w=458 "(1S,3S)-(+-)-benzyl 2-{2-methyl-3-[4-(trifluoromethyl)benzoyl]cyclopropyl}acetate")
