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3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
SpectraBase Compound ID BP9rfJ8Jdhx
InChI InChI=1S/C20H13N7S2/c1-2-6-13(7-3-1)27-18-14(10-22-27)19-25-24-17(26(19)12-21-18)11-28-20-23-15-8-4-5-9-16(15)29-20/h1-10,12H,11H2
InChIKey QLLPLUDIQUBSSZ-UHFFFAOYSA-N
Mol Weight 415.49 g/mol
Molecular Formula C20H13N7S2
Exact Mass 415.067386 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ikf2THzR6kE
Name 3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
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/C20H13N7S2/c1-2-6-13(7-3-1)27-18-14(10-22-27)19-25-24-17(26(19)12-21-18)11-28-20-23-15-8-4-5-9-16(15)29-20/h1-10,12H,11H2
InChIKey QLLPLUDIQUBSSZ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20436
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: D18857; Labnumber: RRMEZ-1035; SBI_ID: SBI-020440
Synonyms 1,3-benzothiazol-2-yl (7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl sulfide
Temperature 308 °C