| SpectraBase Spectrum ID |
qXun3IOHCr |
| Name |
1-Nitro-2-(4-phenylbuta-1,2-dien-1-yl)-4-(pentafluorosulfanyl)benzene |
| Appearance |
Pale orange solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H12F5NO2S |
| InChI |
InChI=1S/C16H12F5NO2S/c17-25(18,19,20,21)15-10-11-16(22(23)24)14(12-15)9-5-4-8-13-6-2-1-3-7-13/h1-12H/b8-4+,9-5+ |
| InChIKey |
SQHDORWVMSVCAO-KBXRYBNXSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.131 |
| Molecular Weight |
377.329 g/mol |
| Reported Formula |
C16H12F5O2S |
| SMILES |
c1([N+](=O)[O-])c(cc(cc1)S(F)(F)(F)(F)F)\C=C\C=C\c1ccccc1 |
| SPLASH |
splash10-0159-1912000000-56d5e754bfc2992b21cd |
| Source of Spectrum |
BJO-8-SM4-(1E,3E)-5f |
| Thin-Layer Chromatography |
Rf = 0.40 (hexane/acetone, 97.5:2.5) |
| Wiley ID |
1864895 |
