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1-[(6-{[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetone
SpectraBase Compound ID 9GaZApFDAK
InChI InChI=1S/C21H25N7O3S2/c1-14(29)13-32-21-23-16-3-2-15(12-17(16)33-21)22-18-24-19(27-4-8-30-9-5-27)26-20(25-18)28-6-10-31-11-7-28/h2-3,12H,4-11,13H2,1H3,(H,22,24,25,26)
InChIKey WIIYFYLKSOQQID-UHFFFAOYSA-N
Mol Weight 487.6 g/mol
Molecular Formula C21H25N7O3S2
Exact Mass 487.14603 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BqPyyDuS6at
Name 1-[(6-{[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetone
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/C21H25N7O3S2/c1-14(29)13-32-21-23-16-3-2-15(12-17(16)33-21)22-18-24-19(27-4-8-30-9-5-27)26-20(25-18)28-6-10-31-11-7-28/h2-3,12H,4-11,13H2,1H3,(H,22,24,25,26)
InChIKey WIIYFYLKSOQQID-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7252
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: D28913; Labnumber: SPKOL-4467; SBI_ID: SBI-007255
Temperature 306 °C