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ethyl 5-[(1-adamantylacetyl)amino]-4-cyano-3-methyl-2-thiophenecarboxylate
SpectraBase Compound ID C0fpA6MABv1
InChI InChI=1S/C21H26N2O3S/c1-3-26-20(25)18-12(2)16(11-22)19(27-18)23-17(24)10-21-7-13-4-14(8-21)6-15(5-13)9-21/h13-15H,3-10H2,1-2H3,(H,23,24)/t13-,14+,15-,21-
InChIKey AGSUMPVZXPNNCO-FZUGUKJMSA-N
Mol Weight 386.51 g/mol
Molecular Formula C21H26N2O3S
Exact Mass 386.166414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KfFUUskFCei
Name ethyl 5-[(1-adamantylacetyl)amino]-4-cyano-3-methyl-2-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/C21H26N2O3S/c1-3-26-20(25)18-12(2)16(11-22)19(27-18)23-17(24)10-21-7-13-4-14(8-21)6-15(5-13)9-21/h13-15H,3-10H2,1-2H3,(H,23,24)/t13-,14+,15-,21-
InChIKey AGSUMPVZXPNNCO-FZUGUKJMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2436
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: 9208828; UBI_ID: UBI-002437
Temperature 318 °C