| SpectraBase Spectrum ID |
LZPFeziYnUv |
| Name |
(5S)-5-Cyanomethyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.001711936 u |
| Formula |
C7H3F6NO3 |
| InChI |
InChI=1S/C7H3F6NO3/c8-6(9,10)5(7(11,12)13)16-3(1-2-14)4(15)17-5/h3H,1H2/t3-/m0/s1 |
| InChIKey |
IVZJDFUUPMFYGN-VKHMYHEASA-N |
| Molecular Weight |
263.095 g/mol |
| SMILES |
C1(OC(=O)[C@@](O1)(CC#N)[H])(C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882249 |
