| SpectraBase Spectrum ID |
IoIiirA5KXh |
| Name |
3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile, 2-[[(4-bromophenyl)methyl]thio]-4-oxo- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.035396385 u |
| Formula |
C19H18BrN3OS |
| InChI |
InChI=1S/C19H18BrN3OS/c20-14-6-4-13(5-7-14)12-25-18-16(11-22)19(8-2-1-3-9-19)15(10-21)17(24)23-18/h4-7,15H,1-3,8-9,12H2,(H,23,24) |
| InChIKey |
BULJGMVMRBYPEX-UHFFFAOYSA-N |
| Molecular Weight |
416.337 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2263 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8163408; Lab Info: TSH; Lab Number: TSH-f000482 |
| Temperature |
29.85 °C |
![3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile, 2-[[(4-bromophenyl)methyl]thio]-4-oxo-](/api/spectrum/IoIiirA5KXh/structure.png?h=300&w=458 "3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile, 2-[[(4-bromophenyl)methyl]thio]-4-oxo-")
