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methyl 2-[(1-adamantylacetyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID F30cEX7LBZY
InChI InChI=1S/C28H33NO3S/c1-32-27(31)25-22-8-7-21(20-5-3-2-4-6-20)12-23(22)33-26(25)29-24(30)16-28-13-17-9-18(14-28)11-19(10-17)15-28/h2-6,17-19,21H,7-16H2,1H3,(H,29,30)/t17-,18+,19-,21?,28-
InChIKey UCMUEBSTIHKTOG-RJVDYUECSA-N
Mol Weight 463.6 g/mol
Molecular Formula C28H33NO3S
Exact Mass 463.218115 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9mzYqjCWW
Name methyl 2-[(1-adamantylacetyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-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/C28H33NO3S/c1-32-27(31)25-22-8-7-21(20-5-3-2-4-6-20)12-23(22)33-26(25)29-24(30)16-28-13-17-9-18(14-28)11-19(10-17)15-28/h2-6,17-19,21H,7-16H2,1H3,(H,29,30)/t17-,18+,19-,21?,28-
InChIKey UCMUEBSTIHKTOG-RJVDYUECSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2388
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: 9125945; UBI_ID: UBI-002389
Temperature 318 °C