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acetamide, 2-[[5-[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-[3-(1H-imidazol-1-yl)propyl]-
SpectraBase Compound ID EMbGSYMbG0O
InChI InChI=1S/C31H29N7O3S/c39-27(33-15-7-17-36-19-16-32-21-36)20-42-31-35-34-26(38(31)23-10-2-1-3-11-23)14-6-18-37-29(40)24-12-4-8-22-9-5-13-25(28(22)24)30(37)41/h1-5,8-13,16,19,21H,6-7,14-15,17-18,20H2,(H,33,39)
InChIKey ARZKLFNIVSNSFZ-UHFFFAOYSA-N
Mol Weight 579.68 g/mol
Molecular Formula C31H29N7O3S
Exact Mass 579.205259 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CKwuHdkBX8j
Name acetamide, 2-[[5-[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-[3-(1H-imidazol-1-yl)propyl]-
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/C31H29N7O3S/c39-27(33-15-7-17-36-19-16-32-21-36)20-42-31-35-34-26(38(31)23-10-2-1-3-11-23)14-6-18-37-29(40)24-12-4-8-22-9-5-13-25(28(22)24)30(37)41/h1-5,8-13,16,19,21H,6-7,14-15,17-18,20H2,(H,33,39)
InChIKey ARZKLFNIVSNSFZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6337
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: NMR/10266479