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methyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID KhOeBCvWhpq
InChI InChI=1S/C21H27NO3S/c1-25-19(23)17-15-4-2-3-5-16(15)26-18(17)22-20(24)21-9-12-6-13(10-21)8-14(7-12)11-21/h12-14H,2-11H2,1H3,(H,22,24)/t12-,13+,14-,21-
InChIKey ZHEACADVKZWGIG-GCHHLULHSA-N
Mol Weight 373.51 g/mol
Molecular Formula C21H27NO3S
Exact Mass 373.171165 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G1fUYnFmyZ2
Name methyl 2-[(1-adamantylcarbonyl)amino]-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/C21H27NO3S/c1-25-19(23)17-15-4-2-3-5-16(15)26-18(17)22-20(24)21-9-12-6-13(10-21)8-14(7-12)11-21/h12-14H,2-11H2,1H3,(H,22,24)/t12-,13+,14-,21-
InChIKey ZHEACADVKZWGIG-GCHHLULHSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2420
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: 6185935; UBI_ID: UBI-002421
Temperature 308 °C