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N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide
SpectraBase Compound ID JHcGMJIFvjH
InChI InChI=1S/C25H21N7OS/c1-17-23(18-10-4-2-5-11-18)24(27-21-15-9-8-14-20(21)26-17)28-22(33)16-34-25-29-30-31-32(25)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H,27,28,33)
InChIKey XGPDNZGMDPNJSO-UHFFFAOYSA-N
Mol Weight 467.55 g/mol
Molecular Formula C25H21N7OS
Exact Mass 467.152829 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9mq4ME56IXV
Name N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide
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/C25H21N7OS/c1-17-23(18-10-4-2-5-11-18)24(27-21-15-9-8-14-20(21)26-17)28-22(33)16-34-25-29-30-31-32(25)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H,27,28,33)
InChIKey XGPDNZGMDPNJSO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6873
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: D27075; Labnumber: VGU-0018790; SBI_ID: SBI-006876
Temperature 308 °C