SpectraBase Spectrum ID |
Hkfi2ZuZkdv |
Name |
N-[Methyl(4-nitrophenyl)(oxo)-lamda6-sulfaneylidene]-3-phenylpropiolamide |
Appearance |
Orange oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H12N2O4S |
InChI |
InChI=1S/C16H12N2O4S/c1-23(22,15-10-8-14(9-11-15)18(20)21)17-16(19)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3 |
InChIKey |
XFVGOTLBUOFSTR-UHFFFAOYSA-N |
Instrument Name |
Finnigan SSQ-7000 |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/adsc.202001440 |
Molecular Weight |
328.342 g/mol |
Reported Formula |
C16H12N2O4S |
SMILES |
c1cc(ccc1[N+](=O)[O-])S(=NC(C#Cc1ccccc1)=O)(C)=O |
SPLASH |
splash10-004i-0911000000-7f6a0be908b675f5d2f3 |
Source of Spectrum |
ASC-363-SM8-2ai |
Wiley ID |
1856394 |