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2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID LCY13MzzBdM
InChI InChI=1S/C21H15N7S2/c1-13-6-8-14(9-7-13)28-19-15(10-23-28)20-25-18(26-27(20)12-22-19)11-29-21-24-16-4-2-3-5-17(16)30-21/h2-10,12H,11H2,1H3
InChIKey JHNRUVFPNYKYGQ-UHFFFAOYSA-N
Mol Weight 429.52 g/mol
Molecular Formula C21H15N7S2
Exact Mass 429.083036 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EYJI9r3XK2J
Name 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-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/C21H15N7S2/c1-13-6-8-14(9-7-13)28-19-15(10-23-28)20-25-18(26-27(20)12-22-19)11-29-21-24-16-4-2-3-5-17(16)30-21/h2-10,12H,11H2,1H3
InChIKey JHNRUVFPNYKYGQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28321
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: D85819; Labnumber: RRMEZ-1175; SBI_ID: SBI-028325
Synonyms 1,3-benzothiazol-2-yl [7-(4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl sulfide
Temperature 318 °C