| SpectraBase Spectrum ID |
9ahJ67D8dWE |
| Name |
4-methyl-1-oxo-1-(N-phenylanilino)-2-penta-2,3-dienesulfinic acid |
| Alternate Name(s) |
[2-methyl-5-oxo-5-(N-phenylanilino)pent-3-yn-2-yl] 4-methyl-1-oxo-1-(N-phenylanilino)penta-2,3-diene-2-sulfinate
[1,1-dimethyl-4-oxo-4-(N-phenylanilino)but-2-ynyl] 4-methyl-1-oxo-1-(N-phenylanilino)penta-2,3-diene-2-sulfinate
[5-(diphenylamino)-2-methyl-5-oxidanylidene-pent-3-yn-2-yl] 1-(diphenylamino)-4-methyl-1-oxidanylidene-penta-2,3-diene-2-sulfinate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H32N2O4S |
| InChI |
InChI=1S/C36H32N2O4S/c1-28(2)27-33(35(40)38(31-21-13-7-14-22-31)32-23-15-8-16-24-32)43(41)42-36(3,4)26-25-34(39)37(29-17-9-5-10-18-29)30-19-11-6-12-20-30/h5-24H,1-4H3 |
| InChIKey |
KHBFPSFVWHXXJV-UHFFFAOYSA-N |
| Molecular Weight |
588.722 g/mol |
| SMILES |
C(C(N(c1ccccc1)c1ccccc1)=O)(S(OC(C#CC(N(c1ccccc1)c1ccccc1)=O)(C)C)=O)=C=C(C)C |
| SPLASH |
splash10-014i-0900000000-d00fa97e0592884dcd89 |
| Source of Spectrum |
U-1996-179-20 |
| Wiley ID |
768070 |
