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methyl 2-[(1-adamantylcarbonyl)amino]-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 3hAe8HMfiQj
InChI InChI=1S/C26H37NO3S/c1-5-25(2,3)18-6-7-19-20(11-18)31-22(21(19)23(28)30-4)27-24(29)26-12-15-8-16(13-26)10-17(9-15)14-26/h15-18H,5-14H2,1-4H3,(H,27,29)/t15-,16+,17-,18?,26-
InChIKey PIPQTRVWCWFLRU-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 CErDIuMyMkC
Name methyl 2-[(1-adamantylcarbonyl)amino]-6-tert-pentyl-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/c1-5-25(2,3)18-6-7-19-20(11-18)31-22(21(19)23(28)30-4)27-24(29)26-12-15-8-16(13-26)10-17(9-15)14-26/h15-18H,5-14H2,1-4H3,(H,27,29)/t15-,16+,17-,18?,26-
InChIKey PIPQTRVWCWFLRU-ANGPUYDVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17414
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/9054492; UBI_ID: UBI-017417
Temperature 318 °C