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2-{6-[2-(4-ethoxyphenyl)acetyl]-2-methylidene-4-oxo-1,3-thiazinan-3-yl}propan-2-ylium chloride
SpectraBase Compound ID BmmE5Uv41PF
InChI InChI=1S/C14H17N5O3S.ClH/c1-2-22-9-5-3-8(4-6-9)18-12(21)10-7-11(20)19(13(15)16)14(17)23-10;/h3-6,10,17H,2,7,15-16H2,1H3;1H
InChIKey LKUSUBPWPGMZIJ-UHFFFAOYSA-N
Mol Weight 371.84 g/mol
Molecular Formula C14H18ClN5O3S
Exact Mass 371.081888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CgHjCUUcx8R
Name 2-{6-[2-(4-ethoxyphenyl)acetyl]-2-methylidene-4-oxo-1,3-thiazinan-3-yl}propan-2-ylium chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.081888331 u
Formula C14H18ClN5O3S
InChI InChI=1S/C14H17N5O3S.ClH/c1-2-22-9-5-3-8(4-6-9)18-12(21)10-7-11(20)19(13(15)16)14(17)23-10;/h3-6,10,17H,2,7,15-16H2,1H3;1H
InChIKey LKUSUBPWPGMZIJ-UHFFFAOYSA-N
Molecular Weight 371.843 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13945
Solvent DMSO-d6
Source Vendor ID: NMR/10222114; Lab Info: PE; Lab Number: PE-0004726