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methyl 2-[(1-adamantylacetyl)amino]-4-(2,4-dimethylphenyl)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID GTJCu8DHxh7
InChI InChI=1S/C27H33NO3S/c1-15-5-6-21(16(2)7-15)23-17(3)32-25(24(23)26(30)31-4)28-22(29)14-27-11-18-8-19(12-27)10-20(9-18)13-27/h5-7,18-20H,8-14H2,1-4H3,(H,28,29)/t18-,19+,20-,27-
InChIKey NDCBAFZQHQOGSU-ACFKOILWSA-N
Mol Weight 451.6 g/mol
Molecular Formula C27H33NO3S
Exact Mass 451.218115 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B9Z8DxJmQ0N
Name methyl 2-[(1-adamantylacetyl)amino]-4-(2,4-dimethylphenyl)-5-methyl-3-thiophenecarboxylate
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/C27H33NO3S/c1-15-5-6-21(16(2)7-15)23-17(3)32-25(24(23)26(30)31-4)28-22(29)14-27-11-18-8-19(12-27)10-20(9-18)13-27/h5-7,18-20H,8-14H2,1-4H3,(H,28,29)/t18-,19+,20-,27-
InChIKey NDCBAFZQHQOGSU-ACFKOILWSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20463
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/9180013; Labnumber: U_AM_ACK/045381; UZI_ID: UZI-020471
Temperature 308 °C