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2,4-pentanedione, 3-[[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID HmdmDEBWNzq
InChI InChI=1S/C16H16N4O2S/c1-9(21)14(10(2)22)23-16-19-18-15(20(16)3)12-8-17-13-7-5-4-6-11(12)13/h4-8,14,17H,1-3H3
InChIKey TYZYQHFSNVIGCA-UHFFFAOYSA-N
Mol Weight 328.39 g/mol
Molecular Formula C16H16N4O2S
Exact Mass 328.099397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2UTr2aUsdrp
Name 2,4-pentanedione, 3-[[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.099396943 u
Formula C16H16N4O2S
InChI InChI=1S/C16H16N4O2S/c1-9(21)14(10(2)22)23-16-19-18-15(20(16)3)12-8-17-13-7-5-4-6-11(12)13/h4-8,14,17H,1-3H3
InChIKey TYZYQHFSNVIGCA-UHFFFAOYSA-N
Molecular Weight 328.390 g/mol
NMR Offset 17.9888
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_3779
Solvent CDCl3
Source Vendor ID: NMR/13279067