SpectraBase Spectrum ID |
A1UEZn5qY9H |
Name |
1H-azepinium, 1-[2-(acetyloxy)-2-phenylethyl]hexahydro-1-methyl-,iodide |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
403.100824079 u |
Formula |
C17H26INO2 |
InChI |
InChI=1S/C17H26NO2.HI/c1-15(19)20-17(16-10-6-5-7-11-16)14-18(2)12-8-3-4-9-13-18;/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3;1H/q+1;/p-1 |
InChIKey |
VXIAQHNFKLWSAB-UHFFFAOYSA-M |
Molecular Weight |
403.304 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_743 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13228934 |