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benzoic acid, 4-[[[[(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)methyl]thio]acetyl]amino]-, butyl ester
SpectraBase Compound ID 8riLjdwqEFg
InChI InChI=1S/C16H20N4O4S/c1-2-3-8-24-15(22)11-4-6-12(7-5-11)17-14(21)10-25-9-13-18-16(23)20-19-13/h4-7H,2-3,8-10H2,1H3,(H,17,21)(H2,18,19,20,23)
InChIKey GPMHTJLVSYCBCU-UHFFFAOYSA-N
Mol Weight 364.42 g/mol
Molecular Formula C16H20N4O4S
Exact Mass 364.120526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 912hissJMBG
Name benzoic acid, 4-[[[[(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)methyl]thio]acetyl]amino]-, butyl 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 364.120526310 u
Formula C16H20N4O4S
InChI InChI=1S/C16H20N4O4S/c1-2-3-8-24-15(22)11-4-6-12(7-5-11)17-14(21)10-25-9-13-18-16(23)20-19-13/h4-7H,2-3,8-10H2,1H3,(H,17,21)(H2,18,19,20,23)
InChIKey GPMHTJLVSYCBCU-UHFFFAOYSA-N
Molecular Weight 364.420 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10219
Solvent DMSO-d6
Source Vendor ID: NMR/10241517; Lab Info: LP; Lab Number: LP-2100600
Temperature 23.85 °C