| SpectraBase Spectrum ID |
3pRMBroz6Dp |
| Name |
diamino({[7-benzyl-3-(methoxycarbonyl)-2,5,7-triazatricyclo[6.4.0.0²,⁶]dodeca-1(8),3,5,9,11-pentaen-4-yl]methyl}sulfanyl)methylium bromide |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.052109076 u |
| Formula |
C20H20BrN5O2S |
| InChI |
InChI=1S/C20H19N5O2S.BrH/c1-27-18(26)17-14(12-28-19(21)22)23-20-24(11-13-7-3-2-4-8-13)15-9-5-6-10-16(15)25(17)20;/h2-10H,11-12H2,1H3,(H3,21,22);1H |
| InChIKey |
WMYTXIHQEAWVNZ-UHFFFAOYSA-N |
| Molecular Weight |
474.377 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1730 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8129316; Lab Info: BLOCK; Lab Number: BL/00064 |
| Temperature |
29.85 °C |
![amino({[9-benzyl-3-(methoxycarbonyl)-9H-imidazo[1,2-a]benzimidazol-2-yl]methyl}sulfanyl)methaniminium bromide](/api/spectrum/3pRMBroz6Dp/structure.png?h=300&w=458 "amino({[9-benzyl-3-(methoxycarbonyl)-9H-imidazo[1,2-a]benzimidazol-2-yl]methyl}sulfanyl)methaniminium bromide")
