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4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylic acid,7-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-, methyl ester

View entire compound with spectra: 1 NMR

4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylic acid,7-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-, methyl ester
SpectraBase Compound ID DbelSVGQoMu
InChI InChI=1S/C21H18N4O5S2/c1-13-18(14(2)26)31-21(23(13)15-7-5-4-6-8-15)24(22-19(32-21)20(27)30-3)16-9-11-17(12-10-16)25(28)29/h4-12H,1-3H3
InChIKey ITFFVXCMWPXZKM-UHFFFAOYSA-N
Mol Weight 470.52 g/mol
Molecular Formula C21H18N4O5S2
Exact Mass 470.071862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LDi4Wl037dX
Name 4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylic acid,7-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-, methyl 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 470.071862039 u
Formula C21H18N4O5S2
InChI InChI=1S/C21H18N4O5S2/c1-13-18(14(2)26)31-21(23(13)15-7-5-4-6-8-15)24(22-19(32-21)20(27)30-3)16-9-11-17(12-10-16)25(28)29/h4-12H,1-3H3
InChIKey ITFFVXCMWPXZKM-UHFFFAOYSA-N
Molecular Weight 470.518 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8472
Solvent DMSO-d6
Source Vendor ID: NMR/13309405