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4-{4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}thiomorpholine
SpectraBase Compound ID 9CXoHoE1yys
InChI InChI=1S/C16H18N4O3S/c1-12-10-15(20(22)23)17-19(12)11-13-2-4-14(5-3-13)16(21)18-6-8-24-9-7-18/h2-5,10H,6-9,11H2,1H3
InChIKey LYIFCYVXGURWLU-UHFFFAOYSA-N
Mol Weight 346.41 g/mol
Molecular Formula C16H18N4O3S
Exact Mass 346.109962 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F39su0uj63r
Name 4-{4-[(5-methyl-3-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 346.109961627 u
Formula C16H18N4O3S
InChI InChI=1S/C16H18N4O3S/c1-12-10-15(20(22)23)17-19(12)11-13-2-4-14(5-3-13)16(21)18-6-8-24-9-7-18/h2-5,10H,6-9,11H2,1H3
InChIKey LYIFCYVXGURWLU-UHFFFAOYSA-N
Molecular Weight 346.405 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9119
Solvent DMSO-d6
Source Vendor ID: NMR/13228363