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2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID 448gAC3a5Xb
InChI InChI=1S/C20H13N7OS/c1-2-6-13(7-3-1)27-18-14(10-22-27)19-24-17(25-26(19)12-21-18)11-29-20-23-15-8-4-5-9-16(15)28-20/h1-10,12H,11H2
InChIKey HXECNXHNYQAFMP-UHFFFAOYSA-N
Mol Weight 399.43 g/mol
Molecular Formula C20H13N7OS
Exact Mass 399.090229 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LleNpbZ2KW8
Name 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-7-phenyl-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/C20H13N7OS/c1-2-6-13(7-3-1)27-18-14(10-22-27)19-24-17(25-26(19)12-21-18)11-29-20-23-15-8-4-5-9-16(15)28-20/h1-10,12H,11H2
InChIKey HXECNXHNYQAFMP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17981
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: D31537; Labnumber: RRMEZ-1173; SBI_ID: SBI-017984
Synonyms 1,3-benzoxazol-2-yl (7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl sulfide
Temperature 318 °C