| SpectraBase Spectrum ID |
CpDbDo6Ea |
| Name |
2-(2-(2,2-Dimethyl-4-phenyl-5-thioxo-2,3,4,5-tetrahydro-1,3,4,6-oxatriazepin-7-yl)phenyl)isoindoline-1,3-dione |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H20N4O3S |
| InChI |
InChI=1S/C25H20N4O3S/c1-25(2)27-29(16-10-4-3-5-11-16)24(33)26-21(32-25)19-14-8-9-15-20(19)28-22(30)17-12-6-7-13-18(17)23(28)31/h3-15,27H,1-2H3 |
| InChIKey |
LQOCMYSZRQDRIF-UHFFFAOYSA-N |
| Instrument Name |
Kratos Model MS 25 (Magnetic Sector) or HP Model MS-5988 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2287 |
| Molecular Weight |
456.520 g/mol |
| SMILES |
N1N(C(N=C(OC1(C)C)c1ccccc1N1C(c2ccccc2C1=O)=O)=S)c1ccccc1 |
| SPLASH |
splash10-00or-6491000000-558757a916607d2c9218 |
| Source of Spectrum |
Y-53-491-13 |
| Wiley ID |
1877614 |
