SpectraBase Spectrum ID |
CeTXU6VtpPu |
Name |
2H-1-benzopyran-3-carboxamide, N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-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 |
408.056920565 u |
Formula |
C18H11F3N2O6 |
InChI |
InChI=1S/C18H11F3N2O6/c19-18(20,21)9-28-13-7-11(6-12(8-13)23(26)27)22-16(24)14-5-10-3-1-2-4-15(10)29-17(14)25/h1-8H,9H2,(H,22,24) |
InChIKey |
CJHJEXWSDDUGMO-UHFFFAOYSA-N |
Molecular Weight |
408.289 g/mol |
NMR Offset |
17.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_5322 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9313071; Lab Info: PNA; Lab Number: PNA-NA00778 |