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5-({1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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5-({1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 568JXrucxfQ
InChI InChI=1S/C29H33N3O2S/c1-17-9-22(13-25-26(33)30(3)28(35)31(4)27(25)34)18(2)32(17)24-7-5-23(6-8-24)29-14-19-10-20(15-29)12-21(11-19)16-29/h5-9,13,19-21H,10-12,14-16H2,1-4H3/t19-,20+,21-,29-
InChIKey GIAWXGUQYRATBI-HNXVDQRVSA-N
Mol Weight 487.7 g/mol
Molecular Formula C29H33N3O2S
Exact Mass 487.229348 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4L3jQ9RSNpG
Name 5-({1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C29H33N3O2S/c1-17-9-22(13-25-26(33)30(3)28(35)31(4)27(25)34)18(2)32(17)24-7-5-23(6-8-24)29-14-19-10-20(15-29)12-21(11-19)16-29/h5-9,13,19-21H,10-12,14-16H2,1-4H3/t19-,20+,21-,29-
InChIKey GIAWXGUQYRATBI-HNXVDQRVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5951
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: 62531; UBI_ID: UBI-005953
Temperature 318 °C