SpectraBase Spectrum ID |
7rDgsdoTtM3 |
Name |
acetamide, N-(4-bromophenyl)-2-[(1,5-dicyano-8-methyl-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)thio]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
472.056860104 u |
Formula |
C21H21BrN4O2S |
InChI |
InChI=1S/C21H21BrN4O2S/c1-13-3-2-8-21(9-13)16(10-23)19(28)26-20(17(21)11-24)29-12-18(27)25-15-6-4-14(22)5-7-15/h4-7,13,16H,2-3,8-9,12H2,1H3,(H,25,27)(H,26,28) |
InChIKey |
XFIYGHNQXGHJBV-UHFFFAOYSA-N |
Molecular Weight |
473.389 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_1792 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: ZI/8127315; Lab Info: DVD; Lab Number: DVD-0000176 |
Temperature |
29.85 °C |