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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-phenyl-1-piperazinyl)methyl]-, ethyl ester
SpectraBase Compound ID CmxflCkhESH
InChI InChI=1S/C18H22N8O3/c1-2-28-18(27)15-14(26(23-20-15)17-16(19)21-29-22-17)12-24-8-10-25(11-9-24)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,19,21)
InChIKey YBUGVXQMJFRLRU-UHFFFAOYSA-N
Mol Weight 398.43 g/mol
Molecular Formula C18H22N8O3
Exact Mass 398.181487 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HfeTVC0colr
Name 1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-phenyl-1-piperazinyl)methyl]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.181486597 u
Formula C18H22N8O3
InChI InChI=1S/C18H22N8O3/c1-2-28-18(27)15-14(26(23-20-15)17-16(19)21-29-22-17)12-24-8-10-25(11-9-24)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,19,21)
InChIKey YBUGVXQMJFRLRU-UHFFFAOYSA-N
Molecular Weight 398.427 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_191
Solvent DMSO-d6
Source Vendor ID: ZI/8036654; Lab Info: VUR; Lab Number: VUR-0002180
Temperature 23.85 °C