| SpectraBase Spectrum ID |
KiU3XX0E4x9 |
| Name |
(E/Z)-1-[4-(8-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-[[phenyl(2-phenylethoxy)phosphoryl]amino]prop-2-en-1-one |
| Appearance |
Gummy liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H32ClN4O4P |
| InChI |
InChI=1S/C34H32ClN4O4P/c35-27-15-16-31-29(25-27)34(37-30-13-7-8-14-32(30)43-31)39-22-20-38(21-23-39)33(40)17-19-36-44(41,28-11-5-2-6-12-28)42-24-18-26-9-3-1-4-10-26/h1-17,19,25H,18,20-24H2,(H,36,41) |
| InChIKey |
UIFGBWKCPWKQIQ-UHFFFAOYSA-N |
| Instrument Name |
ThermoFinnigan MAT95XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202000258 |
| Molecular Weight |
627.081 g/mol |
| Reported Formula |
C34H32ClN4O4P |
| SMILES |
N(P(c1ccccc1)(OCCc1ccccc1)=O)C=CC(=O)N1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc23)CC1 |
| SPLASH |
splash10-0udi-0794003000-8c8771af4a8e8b5cd9e2 |
| Sample Comments |
Z/E > 20:1 |
| Source of Spectrum |
U1-2020-3582-3ej |
| Wiley ID |
1860680 |
![(E/Z)-1-[4-(8-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-[[phenyl(2-phenylethoxy)phosphoryl]amino]prop-2-en-1-one](/api/spectrum/KiU3XX0E4x9/structure.png?h=300&w=458 "(E/Z)-1-[4-(8-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]-3-[[phenyl(2-phenylethoxy)phosphoryl]amino]prop-2-en-1-one")
