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5-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID D3C6uRxobDX
InChI InChI=1S/C21H22N6O4/c22-20-19(21(29)23-9-8-14-4-2-1-3-5-14)25-26-27(20)13-18(28)24-15-6-7-16-17(12-15)31-11-10-30-16/h1-7,12H,8-11,13,22H2,(H,23,29)(H,24,28)
InChIKey WRVHJLZCLSEFGM-UHFFFAOYSA-N
Mol Weight 422.45 g/mol
Molecular Formula C21H22N6O4
Exact Mass 422.170253 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H68lNmt4gMu
Name 5-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.170253208 u
Formula C21H22N6O4
InChI InChI=1S/C21H22N6O4/c22-20-19(21(29)23-9-8-14-4-2-1-3-5-14)25-26-27(20)13-18(28)24-15-6-7-16-17(12-15)31-11-10-30-16/h1-7,12H,8-11,13,22H2,(H,23,29)(H,24,28)
InChIKey WRVHJLZCLSEFGM-UHFFFAOYSA-N
Molecular Weight 422.445 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7962
Solvent DMSO-d6
Source Vendor ID: NMR/13218896