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butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate
SpectraBase Compound ID GbgiQp3H3yf
InChI InChI=1S/C24H29BrN4O3/c1-2-3-8-32-20(30)18-4-6-19(7-5-18)27-21(31)23-10-16-9-17(11-23)13-24(12-16,14-23)29-15-26-22(25)28-29/h4-7,15-17H,2-3,8-14H2,1H3,(H,27,31)/t16-,17+,23+,24-
InChIKey TXUGQGKZDGWGRC-NBKKPGCJSA-N
Mol Weight 501.43 g/mol
Molecular Formula C24H29BrN4O3
Exact Mass 500.142304 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FjcU4r8uIfR
Name butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate
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/C24H29BrN4O3/c1-2-3-8-32-20(30)18-4-6-19(7-5-18)27-21(31)23-10-16-9-17(11-23)13-24(12-16,14-23)29-15-26-22(25)28-29/h4-7,15-17H,2-3,8-14H2,1H3,(H,27,31)/t16-,17+,23+,24-
InChIKey TXUGQGKZDGWGRC-NBKKPGCJSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3399
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/9145820; Labnumber: BAC_UAMK/009650; UZI_ID: UZI-003401
Temperature 308 °C