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(2Z)-3-{1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-cyclohexyl-2-propenamide
SpectraBase Compound ID 8vu2fSNwSwT
InChI InChI=1S/C32H39N3O/c1-21-12-26(16-27(20-33)31(36)34-29-6-4-3-5-7-29)22(2)35(21)30-10-8-28(9-11-30)32-17-23-13-24(18-32)15-25(14-23)19-32/h8-12,16,23-25,29H,3-7,13-15,17-19H2,1-2H3,(H,34,36)/b27-16-/t23-,24+,25-,32-
InChIKey ORZACLLWRUWVBE-KMIHIWFBSA-N
Mol Weight 481.7 g/mol
Molecular Formula C32H39N3O
Exact Mass 481.309313 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AE2Hc152J5t
Name (2Z)-3-{1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-cyclohexyl-2-propenamide
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/C32H39N3O/c1-21-12-26(16-27(20-33)31(36)34-29-6-4-3-5-7-29)22(2)35(21)30-10-8-28(9-11-30)32-17-23-13-24(18-32)15-25(14-23)19-32/h8-12,16,23-25,29H,3-7,13-15,17-19H2,1-2H3,(H,34,36)/b27-16-/t23-,24+,25-,32-
InChIKey ORZACLLWRUWVBE-KMIHIWFBSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_13521
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/1010417; UBI_ID: UBI-013524
Synonyms 3-{1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-cyclohexyl-2-propenamide
Temperature 300 °C