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ethanone, 1-[1-[4-[[[[4-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-yl]amino]methyl]amino]-1,2,5-oxadiazol-3-yl]-5-methyl-1H-1,2,3-

View entire compound with spectra: 1 NMR

ethanone, 1-[1-[4-[[[[4-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-yl]amino]methyl]amino]-1,2,5-oxadiazol-3-yl]-5-methyl-1H-1,2,3-
SpectraBase Compound ID DM52H6NmEUr
InChI InChI=1S/C15H16N12O4/c1-6-10(8(3)28)18-24-26(6)14-12(20-30-22-14)16-5-17-13-15(23-31-21-13)27-7(2)11(9(4)29)19-25-27/h5H2,1-4H3,(H,16,20)(H,17,21)
InChIKey FSSQNIVCGMCGOP-UHFFFAOYSA-N
Mol Weight 428.37 g/mol
Molecular Formula C15H16N12O4
Exact Mass 428.141747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H1pcPtied1p
Name ethanone, 1-[1-[4-[[[[4-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-yl]amino]methyl]amino]-1,2,5-oxadiazol-3-yl]-5-methyl-1H-1,2,3-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.141747039 u
Formula C15H16N12O4
InChI InChI=1S/C15H16N12O4/c1-6-10(8(3)28)18-24-26(6)14-12(20-30-22-14)16-5-17-13-15(23-31-21-13)27-7(2)11(9(4)29)19-25-27/h5H2,1-4H3,(H,16,20)(H,17,21)
InChIKey FSSQNIVCGMCGOP-UHFFFAOYSA-N
Molecular Weight 428.373 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9305
Solvent DMSO-d6
Source Vendor ID: NMR/10240409; Lab Info: VUR; Lab Number: VUR-0001014
Temperature 29.85 °C