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4-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}thiomorpholine
SpectraBase Compound ID 2eS1nJ8qraE
InChI InChI=1S/C15H16N4O3S/c20-15(17-5-7-23-8-6-17)13-3-1-12(2-4-13)10-18-11-14(9-16-18)19(21)22/h1-4,9,11H,5-8,10H2
InChIKey NYYXFOFMATWHLJ-UHFFFAOYSA-N
Mol Weight 332.38 g/mol
Molecular Formula C15H16N4O3S
Exact Mass 332.094312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID kVJwVucrMD
Name 4-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}thiomorpholine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.094311562 u
Formula C15H16N4O3S
InChI InChI=1S/C15H16N4O3S/c20-15(17-5-7-23-8-6-17)13-3-1-12(2-4-13)10-18-11-14(9-16-18)19(21)22/h1-4,9,11H,5-8,10H2
InChIKey NYYXFOFMATWHLJ-UHFFFAOYSA-N
Molecular Weight 332.378 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3480
Solvent DMSO-d6
Source Vendor ID: NMR/12289513