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methyl 2-[(1-adamantylacetyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 7rSMONXvWv9
InChI InChI=1S/C26H37NO3S/c1-25(2,3)18-5-6-19-20(10-18)31-23(22(19)24(29)30-4)27-21(28)14-26-11-15-7-16(12-26)9-17(8-15)13-26/h15-18H,5-14H2,1-4H3,(H,27,28)/t15-,16+,17-,18?,26-
InChIKey UTJLFODPBGFCPJ-ANGPUYDVSA-N
Mol Weight 443.6 g/mol
Molecular Formula C26H37NO3S
Exact Mass 443.249415 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I8YF70JqNGP
Name methyl 2-[(1-adamantylacetyl)amino]-6-tert-butyl-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/C26H37NO3S/c1-25(2,3)18-5-6-19-20(10-18)31-23(22(19)24(29)30-4)27-21(28)14-26-11-15-7-16(12-26)9-17(8-15)13-26/h15-18H,5-14H2,1-4H3,(H,27,28)/t15-,16+,17-,18?,26-
InChIKey UTJLFODPBGFCPJ-ANGPUYDVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3428
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: 9300949; UBI_ID: UBI-003429
Temperature 318 °C