| SpectraBase Spectrum ID |
B13bXuqFMfo |
| Name |
4-((2-(4-(4-Acetamido-3,5-dicyano-6-iminopyridazin-1(6H)-yl)phenyl)-5-oxooxazol-4(5H)-ylidene)methyl)phenyl benzoate |
| Appearance |
Orange powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H19N7O5 |
| InChI |
InChI=1S/C31H19N7O5/c1-18(39)35-27-24(16-32)28(34)38(37-26(27)17-33)22-11-9-20(10-12-22)29-36-25(31(41)43-29)15-19-7-13-23(14-8-19)42-30(40)21-5-3-2-4-6-21/h2-15,34H,1H3,(H,35,39) |
| InChIKey |
PGJOUZAGQWGIBM-UHFFFAOYSA-N |
| Instrument Name |
Kratos MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3139 |
| Molecular Weight |
569.537 g/mol |
| SMILES |
N=C1N(N=C(C(=C1C#N)NC(C)=O)C#N)c1ccc(C2=NC(C(O2)=O)=Cc2ccc(cc2)OC(c2ccccc2)=O)cc1 |
| SPLASH |
splash10-0005-9025600000-ae2b3f327e2536d5bbb0 |
| Source of Spectrum |
Y-55-1098-18 |
| Wiley ID |
1879139 |
