| SpectraBase Spectrum ID |
IXOSEQjn5Iu |
| Name |
[(m-Chlorobenzyl)-(6-phenyl-7-methyl-2H-1,3,4,7-tetrahydroazepin-2-ylidene)methyl]triphenylphosphonium bromide |
| Alternate Name(s) |
[(1E)-2-(3-chlorophenyl)-1-(7-methyl-6-phenyl-1,3,4,7-tetrahydro-2H-azepin-2-ylidene)ethyl](triphenyl)phosphonium bromide |
| CAS Registry Number |
66966-64-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H36BrClNP |
| InChI |
InChI=1S/C39H36ClNP.BrH/c1-30-37(32-17-6-2-7-18-32)26-15-27-38(41-30)39(29-31-16-14-19-33(40)28-31)42(34-20-8-3-9-21-34,35-22-10-4-11-23-35)36-24-12-5-13-25-36;/h2-14,16-26,28,30,41H,15,27,29H2,1H3;1H/q+1;/p-1/b39-38+; |
| InChIKey |
ABOTYJZVSXLZIS-JEFPKVEISA-M |
| Molecular Weight |
665.055 g/mol |
| SMILES |
[Br-].N1C(C(=CCC\C1=C/([P+](c1ccccc1)(c1ccccc1)c1ccccc1)Cc1cc(Cl)ccc1)c1ccccc1)C |
| SPLASH |
splash10-001r-0000090000-5c95be104d0374b9c95a |
| Source of Spectrum |
J-43-4214-0 |
| Wiley ID |
1413678 |
![[(m-Chlorobenzyl)-(6-phenyl-7-methyl-2H-1,3,4,7-tetrahydroazepin-2-ylidene)methyl]triphenylphosphonium bromide](/api/spectrum/IXOSEQjn5Iu/structure.png?h=300&w=458 "[(m-Chlorobenzyl)-(6-phenyl-7-methyl-2H-1,3,4,7-tetrahydroazepin-2-ylidene)methyl]triphenylphosphonium bromide")
