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ethyl 3-{[(3-bromo-1-adamantyl)carbonyl]amino}-5-methoxy-1H-indole-2-carboxylate
SpectraBase Compound ID CKnpDD54Owz
InChI InChI=1S/C23H27BrN2O4/c1-3-30-20(27)19-18(16-7-15(29-2)4-5-17(16)25-19)26-21(28)22-8-13-6-14(9-22)11-23(24,10-13)12-22/h4-5,7,13-14,25H,3,6,8-12H2,1-2H3,(H,26,28)/t13-,14+,22+,23-
InChIKey PECAFILTICSZFF-DWAZAOQOSA-N
Mol Weight 475.38 g/mol
Molecular Formula C23H27BrN2O4
Exact Mass 474.11542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7iMPVJxe7qk
Name ethyl 3-{[(3-bromo-1-adamantyl)carbonyl]amino}-5-methoxy-1H-indole-2-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/C23H27BrN2O4/c1-3-30-20(27)19-18(16-7-15(29-2)4-5-17(16)25-19)26-21(28)22-8-13-6-14(9-22)11-23(24,10-13)12-22/h4-5,7,13-14,25H,3,6,8-12H2,1-2H3,(H,26,28)/t13-,14+,22+,23-
InChIKey PECAFILTICSZFF-DWAZAOQOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19448
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: D13736; Labnumber: SIMAK-01255; SBI_ID: SBI-019451
Temperature 318 °C