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acetamide, 2-[[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(4-ethoxy-2-nitrophenyl)-
SpectraBase Compound ID EBT8RPM3TKY
InChI InChI=1S/C18H16Cl2N6O4S/c1-2-30-11-4-6-14(15(8-11)26(28)29)22-16(27)9-31-18-24-23-17(25(18)21)12-5-3-10(19)7-13(12)20/h3-8H,2,9,21H2,1H3,(H,22,27)
InChIKey LJXOJMFJINUFOG-UHFFFAOYSA-N
Mol Weight 483.33 g/mol
Molecular Formula C18H16Cl2N6O4S
Exact Mass 482.03308 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8OmeaRI4AaN
Name acetamide, 2-[[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(4-ethoxy-2-nitrophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.033079589 u
Formula C18H16Cl2N6O4S
InChI InChI=1S/C18H16Cl2N6O4S/c1-2-30-11-4-6-14(15(8-11)26(28)29)22-16(27)9-31-18-24-23-17(25(18)21)12-5-3-10(19)7-13(12)20/h3-8H,2,9,21H2,1H3,(H,22,27)
InChIKey LJXOJMFJINUFOG-UHFFFAOYSA-N
Molecular Weight 483.330 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13221
Solvent DMSO-d6
Source Vendor ID: NMR/10301343; Lab Info: LP; Lab Number: LP-2101429