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methyl 2-[(1-adamantylacetyl)amino]-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID 6DNPl0qGxPE
InChI InChI=1S/C27H33NO3S/c1-4-17-5-7-21(8-6-17)23-16(2)32-25(24(23)26(30)31-3)28-22(29)15-27-12-18-9-19(13-27)11-20(10-18)14-27/h5-8,18-20H,4,9-15H2,1-3H3,(H,28,29)/t18-,19+,20-,27-
InChIKey VTCANVQYRBMEGF-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 BYobipHFUTX
Name methyl 2-[(1-adamantylacetyl)amino]-4-(4-ethylphenyl)-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/c1-4-17-5-7-21(8-6-17)23-16(2)32-25(24(23)26(30)31-3)28-22(29)15-27-12-18-9-19(13-27)11-20(10-18)14-27/h5-8,18-20H,4,9-15H2,1-3H3,(H,28,29)/t18-,19+,20-,27-
InChIKey VTCANVQYRBMEGF-ACFKOILWSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20429
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/9252663; Labnumber: U_AM_ACK/043841; UZI_ID: UZI-020437
Temperature 308 °C