SpectraBase Spectrum ID |
2OjQhNRIJMK |
Name |
benzaldehyde, 4-[[5-(methoxymethyl)-4-(1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-3-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 |
420.089226181 u |
Formula |
C21H16N4O4S |
InChI |
InChI=1S/C21H16N4O4S/c1-29-13-20-22-23-21(30-19-10-9-14(12-26)11-18(19)25(27)28)24(20)17-8-4-6-15-5-2-3-7-16(15)17/h2-12H,13H2,1H3 |
InChIKey |
NDYHSEJDVIGHKA-UHFFFAOYSA-N |
Molecular Weight |
420.443 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_9510 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10231581; Lab Info: LP; Lab Number: LP-3002903 |
Temperature |
29.85 °C |