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ethyl 2-[(1-adamantylacetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FxRtm7IEU0M
InChI InChI=1S/C25H35NO3S/c1-3-15-5-6-19-20(10-15)30-23(22(19)24(28)29-4-2)26-21(27)14-25-11-16-7-17(12-25)9-18(8-16)13-25/h15-18H,3-14H2,1-2H3,(H,26,27)/t15?,16-,17+,18-,25-
InChIKey NTIJTZCGNMAUBY-NTBQFNCVSA-N
Mol Weight 429.6 g/mol
Molecular Formula C25H35NO3S
Exact Mass 429.233765 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FSshfnClvCU
Name ethyl 2-[(1-adamantylacetyl)amino]-6-ethyl-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/C25H35NO3S/c1-3-15-5-6-19-20(10-15)30-23(22(19)24(28)29-4-2)26-21(27)14-25-11-16-7-17(12-25)9-18(8-16)13-25/h15-18H,3-14H2,1-2H3,(H,26,27)/t15?,16-,17+,18-,25-
InChIKey NTIJTZCGNMAUBY-NTBQFNCVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2387
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: 9256459; UBI_ID: UBI-002388
Temperature 318 °C