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ethyl 2-({[1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 7NnyUiHjekz
InChI InChI=1S/C24H28N4O5S/c1-2-33-23(30)19-16-4-3-5-18(16)34-22(19)25-21(29)20-17(28(31)32)12-27(26-20)24-9-13-6-14(10-24)8-15(7-13)11-24/h12-15H,2-11H2,1H3,(H,25,29)/t13-,14+,15-,24-
InChIKey DELYGQHFCAJADA-UYJDEUBQSA-N
Mol Weight 484.57 g/mol
Molecular Formula C24H28N4O5S
Exact Mass 484.178041 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID NQvbPxHrho
Name ethyl 2-({[1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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/C24H28N4O5S/c1-2-33-23(30)19-16-4-3-5-18(16)34-22(19)25-21(29)20-17(28(31)32)12-27(26-20)24-9-13-6-14(10-24)8-15(7-13)11-24/h12-15H,2-11H2,1H3,(H,25,29)/t13-,14+,15-,24-
InChIKey DELYGQHFCAJADA-UYJDEUBQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3039
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: 9313806; UBI_ID: UBI-003040
Temperature 318 °C