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4-(4-isopropylphenyl)-5-methyl-2-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl]-3-thiophenecarbonitrile

View entire compound with spectra: 1 NMR

4-(4-isopropylphenyl)-5-methyl-2-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl]-3-thiophenecarbonitrile
SpectraBase Compound ID 5mwQo1T5BSC
InChI InChI=1S/C27H28N2O2S/c1-13(2)16-6-8-17(9-7-16)22-15(5)32-27(20(22)12-28)29-25(30)23-18-10-11-19(21(18)14(3)4)24(23)26(29)31/h6-9,13,18-19,23-24H,10-11H2,1-5H3/t18-,19+,23-,24-/m0/s1
InChIKey DVJCYWWUKJRSJW-PLWWPAAYSA-N
Mol Weight 444.59 g/mol
Molecular Formula C27H28N2O2S
Exact Mass 444.187149 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5YOlczL6QIv
Name 4-(4-isopropylphenyl)-5-methyl-2-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl]-3-thiophenecarbonitrile
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/C27H28N2O2S/c1-13(2)16-6-8-17(9-7-16)22-15(5)32-27(20(22)12-28)29-25(30)23-18-10-11-19(21(18)14(3)4)24(23)26(29)31/h6-9,13,18-19,23-24H,10-11H2,1-5H3/t18-,19+,23-,24-/m0/s1
InChIKey DVJCYWWUKJRSJW-PLWWPAAYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15778
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/1004442; Labnumber: NSB-0100127; UZI_ID: UZI-015782
Temperature 308 °C