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1H-indole, 2-[3-(phenylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-
SpectraBase Compound ID 75f53eYswYf
InChI InChI=1S/C18H13N5S/c1-2-6-12(7-3-1)10-16-20-21-18-23(16)22-17(24-18)15-11-13-8-4-5-9-14(13)19-15/h1-9,11,19H,10H2
InChIKey XDOYSSJSOFYOHW-UHFFFAOYSA-N
Mol Weight 331.4 g/mol
Molecular Formula C18H13N5S
Exact Mass 331.089167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CgAeZ1hmAid
Name 1H-indole, 2-[3-(phenylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H13N5S/c1-2-6-12(7-3-1)10-16-20-21-18-23(16)22-17(24-18)15-11-13-8-4-5-9-14(13)19-15/h1-9,11,19H,10H2
InChIKey XDOYSSJSOFYOHW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_5594
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F26054; Labnumber: BAL4-8589