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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-, ethyl 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-, ethyl ester
SpectraBase Compound ID IbS4wB7jT3k
InChI InChI=1S/C22H20N4O5S2/c1-4-31-21(28)20-23-25(17-10-12-18(13-11-17)26(29)30)22(33-20)24(16-8-6-5-7-9-16)14(2)19(32-22)15(3)27/h5-13H,4H2,1-3H3
InChIKey KFZAWYGJSXAKCC-UHFFFAOYSA-N
Mol Weight 484.55 g/mol
Molecular Formula C22H20N4O5S2
Exact Mass 484.087512 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LhPda0mQFJh
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-, ethyl 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 484.087512103 u
Formula C22H20N4O5S2
InChI InChI=1S/C22H20N4O5S2/c1-4-31-21(28)20-23-25(17-10-12-18(13-11-17)26(29)30)22(33-20)24(16-8-6-5-7-9-16)14(2)19(32-22)15(3)27/h5-13H,4H2,1-3H3
InChIKey KFZAWYGJSXAKCC-UHFFFAOYSA-N
Molecular Weight 484.545 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8473
Solvent DMSO-d6
Source Vendor ID: NMR/13309406