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2(3H)-benzoxazolone, 5-[[5-amino-3-[4-(1,1-dimethylethyl)phenyl]-1H-pyrazol-1-yl]sulfonyl]-
SpectraBase Compound ID 3dW1pTXtndZ
InChI InChI=1S/C20H20N4O4S/c1-20(2,3)13-6-4-12(5-7-13)15-11-18(21)24(23-15)29(26,27)14-8-9-17-16(10-14)22-19(25)28-17/h4-11H,21H2,1-3H3,(H,22,25)
InChIKey JGTSTWPUEMOIME-UHFFFAOYSA-N
Mol Weight 412.46 g/mol
Molecular Formula C20H20N4O4S
Exact Mass 412.120526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DfQH5FVaHH4
Name 2(3H)-benzoxazolone, 5-[[5-amino-3-[4-(1,1-dimethylethyl)phenyl]-1H-pyrazol-1-yl]sulfonyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.120526310 u
Formula C20H20N4O4S
InChI InChI=1S/C20H20N4O4S/c1-20(2,3)13-6-4-12(5-7-13)15-11-18(21)24(23-15)29(26,27)14-8-9-17-16(10-14)22-19(25)28-17/h4-11H,21H2,1-3H3,(H,22,25)
InChIKey JGTSTWPUEMOIME-UHFFFAOYSA-N
Molecular Weight 412.464 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1953
Solvent DMSO-d6
Source Vendor ID: NMR/12679583