| SpectraBase Spectrum ID |
2cBGeT2YtAc |
| Name |
benzeneacetonitrile, alpha-[[3-methoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylene]-4-nitro- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.106984245 u |
| Formula |
C20H16N4O6 |
| InChI |
InChI=1S/C20H16N4O6/c1-13-18(24(27)30-22-13)12-29-19-8-3-14(10-20(19)28-2)9-16(11-21)15-4-6-17(7-5-15)23(25)26/h3-10H,12H2,1-2H3/b16-9+ |
| InChIKey |
QSKQDSWDKVTMFV-CXUHLZMHSA-N |
| Molecular Weight |
408.370 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_4740 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9290218; Lab Info: LP; Lab Number: LP-4033006 |
![benzeneacetonitrile, alpha-[[3-methoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylene]-4-nitro-](/api/spectrum/2cBGeT2YtAc/structure.png?h=300&w=458 "benzeneacetonitrile, alpha-[[3-methoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methylene]-4-nitro-")
