| SpectraBase Spectrum ID |
9gssCDVkQOv |
| Name |
Benzenamine, N,N-bis[4-[(4-bromophenyl)thio]-2-butynyl]-4-methyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
582.963868093 u |
| Formula |
C27H23Br2NS2 |
| InChI |
InChI=1S/C27H23Br2NS2/c1-22-6-12-25(13-7-22)30(18-2-4-20-31-26-14-8-23(28)9-15-26)19-3-5-21-32-27-16-10-24(29)11-17-27/h6-17H,18-21H2,1H3 |
| InChIKey |
NXNYJABDLZPGOW-UHFFFAOYSA-N |
| Molecular Weight |
585.416 g/mol |
| SMILES |
C(#CCSC1=CC=C(C=C1)Br)CN(C1=CC=C(C=C1)C)CC#CCSC=1C=CC(=CC1)Br |
![Benzenamine, N,N-bis[4-[(4-bromophenyl)thio]-2-butynyl]-4-methyl-](/api/spectrum/9gssCDVkQOv/structure.png?h=300&w=458 "Benzenamine, N,N-bis[4-[(4-bromophenyl)thio]-2-butynyl]-4-methyl-")
