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2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
SpectraBase Compound ID 3d7P32CiQMn
InChI InChI=1S/C21H16N6OS2/c1-2-11-27-15-9-5-3-7-13(15)18-19(27)24-21(26-25-18)29-12-17(28)23-20-22-14-8-4-6-10-16(14)30-20/h2-10H,1,11-12H2,(H,22,23,28)
InChIKey XDZMDLSNXVFJNS-UHFFFAOYSA-N
Mol Weight 432.52 g/mol
Molecular Formula C21H16N6OS2
Exact Mass 432.082702 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6flRhjnzS7m
Name 2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
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/C21H16N6OS2/c1-2-11-27-15-9-5-3-7-13(15)18-19(27)24-21(26-25-18)29-12-17(28)23-20-22-14-8-4-6-10-16(14)30-20/h2-10H,1,11-12H2,(H,22,23,28)
InChIKey XDZMDLSNXVFJNS-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12394
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: UZI/9120382; UBI_ID: UBI-012397
Temperature 313 °C