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acetamide, 2-[[4-cyclohexyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-[5,6,7,8-tetrahydro-5-oxo-7-(2-thienyl)-2-quinazolinyl]-
SpectraBase Compound ID BCiVDlHsLnX
InChI InChI=1S/C27H27N7O2S2/c35-22-13-18(23-9-5-11-37-23)12-21-20(22)15-29-26(30-21)31-24(36)16-38-27-33-32-25(17-6-4-10-28-14-17)34(27)19-7-2-1-3-8-19/h4-6,9-11,14-15,18-19H,1-3,7-8,12-13,16H2,(H,29,30,31,36)
InChIKey VQUQCFRWHQDINN-UHFFFAOYSA-N
Mol Weight 545.68 g/mol
Molecular Formula C27H27N7O2S2
Exact Mass 545.166765 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IyseQ34vkss
Name acetamide, 2-[[4-cyclohexyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-[5,6,7,8-tetrahydro-5-oxo-7-(2-thienyl)-2-quinazolinyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 545.166765483 u
Formula C27H27N7O2S2
InChI InChI=1S/C27H27N7O2S2/c35-22-13-18(23-9-5-11-37-23)12-21-20(22)15-29-26(30-21)31-24(36)16-38-27-33-32-25(17-6-4-10-28-14-17)34(27)19-7-2-1-3-8-19/h4-6,9-11,14-15,18-19H,1-3,7-8,12-13,16H2,(H,29,30,31,36)
InChIKey VQUQCFRWHQDINN-UHFFFAOYSA-N
Molecular Weight 545.680 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18363
Solvent DMSO-d6
Source Vendor ID: NMR/11262216; Lab Info: PRE; Lab Number: PRE-A000008