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pyrrolo[3,4-d][1,2,3]triazole-1-acetamide, 5-(3-chlorophenyl)-1,3a,4,5,6,6a-hexahydro-N-[3-(methylthio)phenyl]-4,6-dioxo-

View entire compound with spectra: 1 NMR

pyrrolo[3,4-d][1,2,3]triazole-1-acetamide, 5-(3-chlorophenyl)-1,3a,4,5,6,6a-hexahydro-N-[3-(methylthio)phenyl]-4,6-dioxo-
SpectraBase Compound ID 4rmCjCQqQwg
InChI InChI=1S/C19H16ClN5O3S/c1-29-14-7-3-5-12(9-14)21-15(26)10-24-17-16(22-23-24)18(27)25(19(17)28)13-6-2-4-11(20)8-13/h2-9,16-17H,10H2,1H3,(H,21,26)
InChIKey NLBSLEPPARVKET-UHFFFAOYSA-N
Mol Weight 429.88 g/mol
Molecular Formula C19H16ClN5O3S
Exact Mass 429.066238 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5seQFTHZCHj
Name pyrrolo[3,4-d][1,2,3]triazole-1-acetamide, 5-(3-chlorophenyl)-1,3a,4,5,6,6a-hexahydro-N-[3-(methylthio)phenyl]-4,6-dioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.066238266 u
Formula C19H16ClN5O3S
InChI InChI=1S/C19H16ClN5O3S/c1-29-14-7-3-5-12(9-14)21-15(26)10-24-17-16(22-23-24)18(27)25(19(17)28)13-6-2-4-11(20)8-13/h2-9,16-17H,10H2,1H3,(H,21,26)
InChIKey NLBSLEPPARVKET-UHFFFAOYSA-N
Molecular Weight 429.882 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_58
Solvent DMSO-d6
Source Vendor ID: NMR/13238410