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Ethyl 2-[(1-adamantylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID E2XXGPKwYDJ
InChI InChI=1S/C23H31NO3S/c1-3-27-21(25)19-17-5-4-13(2)6-18(17)28-20(19)24-22(26)23-10-14-7-15(11-23)9-16(8-14)12-23/h13-16H,3-12H2,1-2H3,(H,24,26)/t13?,14-,15+,16-,23-
InChIKey JBVMWQGUBAHNJH-PAWMVDMSSA-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 HCXMqssJ7yC
Name ethyl 2-[(1-adamantylcarbonyl)amino]-6-methyl-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/C23H31NO3S/c1-3-27-21(25)19-17-5-4-13(2)6-18(17)28-20(19)24-22(26)23-10-14-7-15(11-23)9-16(8-14)12-23/h13-16H,3-12H2,1-2H3,(H,24,26)/t13?,14-,15+,16-,23-
InChIKey JBVMWQGUBAHNJH-PAWMVDMSSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2428
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: 6211221; UBI_ID: UBI-002429
Temperature 318 °C