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ethyl 2-[(1-adamantylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID BlIowlGOzQU
InChI InChI=1S/C22H29NO3S/c1-2-26-21(25)19-16-4-3-5-17(16)27-20(19)23-18(24)12-22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,2-12H2,1H3,(H,23,24)/t13-,14+,15-,22-
InChIKey XVEFEXVZEFEWRS-CNNQHEGBSA-N
Mol Weight 387.54 g/mol
Molecular Formula C22H29NO3S
Exact Mass 387.186815 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LXyUD2BNcTI
Name ethyl 2-[(1-adamantylacetyl)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/C22H29NO3S/c1-2-26-21(25)19-16-4-3-5-17(16)27-20(19)23-18(24)12-22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,2-12H2,1H3,(H,23,24)/t13-,14+,15-,22-
InChIKey XVEFEXVZEFEWRS-CNNQHEGBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2437
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: 9288767; UBI_ID: UBI-002438
Temperature 318 °C