| SpectraBase Spectrum ID |
CTqahPhBH4Z |
| Name |
2-(iodomethyl)-4-(4-methylbenzenesulfonyl)-1λ⁵,4-diazatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5,7,9(13),10-pentaen-1-ylium; triiodan-2-uide |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
845.726779000 u |
| Formula |
C19H18I4N2O2S |
| InChI |
InChI=1S/C19H18IN2O2S.I3/c1-14-7-9-17(10-8-14)25(23,24)22-13-16(12-20)21-11-3-5-15-4-2-6-18(22)19(15)21;1-3-2/h2-11,16H,12-13H2,1H3;/q+1;-1 |
| InChIKey |
UVUZBDODZVAERP-UHFFFAOYSA-N |
| Molecular Weight |
846.043 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5881 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9322703; Lab Info: KDG; Lab Number: KDG-0000001 |
![2-(iodomethyl)-4-(4-methylbenzenesulfonyl)-1λ⁵,4-diazatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5,7,9(13),10-pentaen-1-ylium; triiodan-2-uide](/api/spectrum/CTqahPhBH4Z/structure.png?h=300&w=458 "2-(iodomethyl)-4-(4-methylbenzenesulfonyl)-1λ⁵,4-diazatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5,7,9(13),10-pentaen-1-ylium; triiodan-2-uide")
