| SpectraBase Spectrum ID |
KHkEqSm5zSa |
| Name |
(S,E)-5-benzyl-2-thioxo-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)imidazolidin-4-one |
| Carrier Gas |
Helium (1.1 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.049333263 u |
| Formula |
C14H11F3N2O2S |
| GC Column |
VF (30 m x 0.25 mm, film thickness 5 micrometer) |
| GC Oven Program |
Oven temp 280oC |
| InChI |
InChI=1S/C14H11F3N2O2S/c15-14(16,17)11(20)6-7-19-10(12(21)18-13(19)22)8-9-4-2-1-3-5-9/h1-7,10H,8H2,(H,18,21,22)/b7-6+/t10-/m0/s1 |
| InChIKey |
ZUZFGSXDKPMUEP-FGEFZZPRSA-N |
| Instrument Name |
Shimadzu GC-MS-QP 5050 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ajoc.202300318 |
| Molecular Weight |
328.309 g/mol |
| Quality |
92 |
| SMILES |
N1C(N([C@](C1=O)(CC1=CC=CC=C1)[H])\C=C\C(=O)C(F)(F)F)=S |
| SPLASH |
splash10-0006-9140000000-04b6e009078218e3e9d3 |
| Source of Spectrum |
AJO-12-SM5-31 (DOI: 10.1002/ajoc.202300318) |
| Wiley ID |
1909762 |
