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N-(1-adamantyl)-4-(4-isobutyryl-1-piperazinyl)-3-nitrobenzamide

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N-(1-adamantyl)-4-(4-isobutyryl-1-piperazinyl)-3-nitrobenzamide
SpectraBase Compound ID Gn4ktKPTufi
InChI InChI=1S/C25H34N4O4/c1-16(2)24(31)28-7-5-27(6-8-28)21-4-3-20(12-22(21)29(32)33)23(30)26-25-13-17-9-18(14-25)11-19(10-17)15-25/h3-4,12,16-19H,5-11,13-15H2,1-2H3,(H,26,30)/t17-,18+,19-,25-
InChIKey NCMSZFAQVVTQJA-DXSJEHQWSA-N
Mol Weight 454.6 g/mol
Molecular Formula C25H34N4O4
Exact Mass 454.258006 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 63WJoX2uGVo
Name N-(1-adamantyl)-4-(4-isobutyryl-1-piperazinyl)-3-nitrobenzamide
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/C25H34N4O4/c1-16(2)24(31)28-7-5-27(6-8-28)21-4-3-20(12-22(21)29(32)33)23(30)26-25-13-17-9-18(14-25)11-19(10-17)15-25/h3-4,12,16-19H,5-11,13-15H2,1-2H3,(H,26,30)/t17-,18+,19-,25-
InChIKey NCMSZFAQVVTQJA-DXSJEHQWSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4988
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: E12695; Labnumber: SPKUZ-2270; SBI_ID: SBI-004990
Temperature 306 °C