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3-(3-nitro-1H-1,2,4-triazol-1-yl)-N-[2-(phenylsulfanyl)phenyl]-1-adamantanecarboxamide
SpectraBase Compound ID APO1uMC07ZP
InChI InChI=1S/C25H25N5O3S/c31-22(27-20-8-4-5-9-21(20)34-19-6-2-1-3-7-19)24-11-17-10-18(12-24)14-25(13-17,15-24)29-16-26-23(28-29)30(32)33/h1-9,16-18H,10-15H2,(H,27,31)/t17-,18+,24+,25-
InChIKey SSICQKDGQZDKEN-OZHUBHEGSA-N
Mol Weight 475.57 g/mol
Molecular Formula C25H25N5O3S
Exact Mass 475.167811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lx7ZSZaNs69
Name 3-(3-nitro-1H-1,2,4-triazol-1-yl)-N-[2-(phenylsulfanyl)phenyl]-1-adamantanecarboxamide
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/C25H25N5O3S/c31-22(27-20-8-4-5-9-21(20)34-19-6-2-1-3-7-19)24-11-17-10-18(12-24)14-25(13-17,15-24)29-16-26-23(28-29)30(32)33/h1-9,16-18H,10-15H2,(H,27,31)/t17-,18+,24+,25-
InChIKey SSICQKDGQZDKEN-OZHUBHEGSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19836
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: UZI/9151668; UBI_ID: UBI-019840
Temperature 308 °C