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benzaldehyde, 4-[[5-(methoxymethyl)-4-(1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-3-nitro-
SpectraBase Compound ID qScTBqig7O
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
Mol Weight 420.44 g/mol
Molecular Formula C21H16N4O4S
Exact Mass 420.089226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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