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4-[5-(2-Methoxy-5-nitro-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-phenylamine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-[5-(2-Methoxy-5-nitro-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-phenylamine
SpectraBase Compound ID vrEtDpH4xU
InChI InChI=1S/C17H17N5O3S/c1-21-16(11-3-5-13(18)6-4-11)19-20-17(21)26-10-12-9-14(22(23)24)7-8-15(12)25-2/h3-9H,10,18H2,1-2H3
InChIKey NTCJDVDCKQUTBB-UHFFFAOYSA-N
Mol Weight 371.42 g/mol
Molecular Formula C17H17N5O3S
Exact Mass 371.105211 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IChlTqyObu7
Name benzenamine, 4-[5-[[(2-methoxy-5-nitrophenyl)methyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.105210598 u
Formula C17H17N5O3S
InChI InChI=1S/C17H17N5O3S/c1-21-16(11-3-5-13(18)6-4-11)19-20-17(21)26-10-12-9-14(22(23)24)7-8-15(12)25-2/h3-9H,10,18H2,1-2H3
InChIKey NTCJDVDCKQUTBB-UHFFFAOYSA-N
Molecular Weight 371.415 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10442
Solvent DMSO-d6
Source Vendor ID: NMR/9290321; Lab Info: LP; Lab Number: LP-6090344