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1-benzyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxido-2H-1,2,3-triazol-4-yl]-4-piperidinamine
SpectraBase Compound ID Fq9svJ4oh8w
InChI InChI=1S/C22H24N6O5/c29-27-21(23-17-8-10-25(11-9-17)15-16-4-2-1-3-5-16)22(28(30)31)24-26(27)18-6-7-19-20(14-18)33-13-12-32-19/h1-7,14,17,23H,8-13,15H2
InChIKey CFIAQBPIOTUCGK-UHFFFAOYSA-N
Mol Weight 452.47 g/mol
Molecular Formula C22H24N6O5
Exact Mass 452.180818 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3lHi6eOUuQ4
Name 1-benzyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxido-2H-1,2,3-triazol-4-yl]-4-piperidinamine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.180817892 u
Formula C22H24N6O5
InChI InChI=1S/C22H24N6O5/c29-27-21(23-17-8-10-25(11-9-17)15-16-4-2-1-3-5-16)22(28(30)31)24-26(27)18-6-7-19-20(14-18)33-13-12-32-19/h1-7,14,17,23H,8-13,15H2
InChIKey CFIAQBPIOTUCGK-UHFFFAOYSA-N
Molecular Weight 452.471 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5133
Solvent DMSO-d6
Source Vendor ID: NMR/12318397