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methyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID 2ceXcS1n0oG
InChI InChI=1S/C23H31NO3S/c1-27-21(25)19-17-6-4-2-3-5-7-18(17)28-20(19)24-22(26)23-11-14-8-15(12-23)10-16(9-14)13-23/h14-16H,2-13H2,1H3,(H,24,26)/t14-,15+,16-,23-
InChIKey LCOMYLZFCGAZMK-FSUVMKLBSA-N
Mol Weight 401.57 g/mol
Molecular Formula C23H31NO3S
Exact Mass 401.202465 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LPTs8ETMzoZ
Name methyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[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/C23H31NO3S/c1-27-21(25)19-17-6-4-2-3-5-7-18(17)28-20(19)24-22(26)23-11-14-8-15(12-23)10-16(9-14)13-23/h14-16H,2-13H2,1H3,(H,24,26)/t14-,15+,16-,23-
InChIKey LCOMYLZFCGAZMK-FSUVMKLBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7525
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/8199729; UBI_ID: UBI-007528
Temperature 313 °C