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5,7-dimethyl-3-(pentylsulfanyl)[1,2,4]triazolo[4,3-a]pyrimidine
SpectraBase Compound ID DEDaTaxgXy0
InChI InChI=1S/C12H18N4S/c1-4-5-6-7-17-12-15-14-11-13-9(2)8-10(3)16(11)12/h8H,4-7H2,1-3H3
InChIKey ZVCWHPQAMNRSHU-UHFFFAOYSA-N
Mol Weight 250.36 g/mol
Molecular Formula C12H18N4S
Exact Mass 250.125218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Ay4pRo4mdQ
Name 5,7-dimethyl-3-(pentylsulfanyl)[1,2,4]triazolo[4,3-a]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/C12H18N4S/c1-4-5-6-7-17-12-15-14-11-13-9(2)8-10(3)16(11)12/h8H,4-7H2,1-3H3
InChIKey ZVCWHPQAMNRSHU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_1808
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: 701183EX00072736; Labnumber: 701183EX00072736; VK_ID: VK-001809
Synonyms 5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl pentyl sulfide
Temperature 318 °C