| SpectraBase Spectrum ID |
J00wqfPb03y |
| Name |
(2S)-2-(2,4-Dichlorophenyl)-4-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4] thiazepine |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H19Cl2N3S |
| InChI |
InChI=1S/C25H19Cl2N3S/c1-16-20(15-28-30(16)18-7-3-2-4-8-18)23-14-25(19-12-11-17(26)13-21(19)27)31-24-10-6-5-9-22(24)29-23/h2-13,15,25H,14H2,1H3/t25-/m0/s1 |
| InChIKey |
FJIOOKYTDVACCN-VWLOTQADSA-N |
| Instrument Name |
AEI MS 30 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2455 |
| Molecular Weight |
464.414 g/mol |
| SMILES |
c1(Cl)ccc(c(c1)Cl)[C@@]1(CC(=Nc2c(S1)cccc2)c1cn[n](c1C)-c1ccccc1)[H] |
| SPLASH |
splash10-002f-9280100000-284ab7a39df0fa8d79e3 |
| Source of Spectrum |
Y-53-1507-12b |
| Wiley ID |
1876600 |
![(2S)-2-(2,4-Dichlorophenyl)-4-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4] thiazepine](/api/spectrum/J00wqfPb03y/structure.png?h=300&w=458 "(2S)-2-(2,4-Dichlorophenyl)-4-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4] thiazepine")
