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methyl 2-[(1-adamantylcarbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID KeXa8ObHhQ5
InChI InChI=1S/C25H35NO3S/c1-24(2,3)17-5-6-18-19(10-17)30-21(20(18)22(27)29-4)26-23(28)25-11-14-7-15(12-25)9-16(8-14)13-25/h14-17H,5-13H2,1-4H3,(H,26,28)/t14-,15+,16-,17?,25-
InChIKey DVIFDLUXHOEXSS-QXOTWOKRSA-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 I7KXBeqLbDQ
Name methyl 2-[(1-adamantylcarbonyl)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/C25H35NO3S/c1-24(2,3)17-5-6-18-19(10-17)30-21(20(18)22(27)29-4)26-23(28)25-11-14-7-15(12-25)9-16(8-14)13-25/h14-17H,5-13H2,1-4H3,(H,26,28)/t14-,15+,16-,17?,25-
InChIKey DVIFDLUXHOEXSS-QXOTWOKRSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2421
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: 9097486; UBI_ID: UBI-002422
Temperature 308 °C