For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-[[4-[2-(3,4-DIHYDRO-7-METHOXY-4,4-DIMETHYL-1,3-DIOXO-2-(1H)-ISOQUINOLINYL)-ETHYL]-PHENYL]-SULFONYL]-3-(CIS-4-HYDROXYCYCLOHEXYL)-UREA

View entire compound with spectra: 1 NMR

1-[[4-[2-(3,4-DIHYDRO-7-METHOXY-4,4-DIMETHYL-1,3-DIOXO-2-(1H)-ISOQUINOLINYL)-ETHYL]-PHENYL]-SULFONYL]-3-(CIS-4-HYDROXYCYCLOHEXYL)-UREA
SpectraBase Compound ID B0TiYtaUw2u
InChI InChI=1S/C27H33N3O7S/c1-27(2)23-13-10-20(37-3)16-22(23)24(32)30(25(27)33)15-14-17-4-11-21(12-5-17)38(35,36)29-26(34)28-18-6-8-19(31)9-7-18/h4-5,10-13,16,18-19,31H,6-9,14-15H2,1-3H3,(H2,28,29,34)/t18-,19+
InChIKey HQTIPOUQTNKDNA-KDURUIRLSA-N
Mol Weight 543.6 g/mol
Molecular Formula C27H33N3O7S
Exact Mass 543.203922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4otjSCO1Dpj
Name 1-[[4-[2-(3,4-DIHYDRO-7-METHOXY-4,4-DIMETHYL-1,3-DIOXO-2-(1H)-ISOQUINOLINYL)-ETHYL]-PHENYL]-SULFONYL]-3-(CIS-4-HYDROXYCYCLOHEXYL)-UREA
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33N3O7S
InChI InChI=1S/C27H33N3O7S/c1-27(2)23-13-10-20(37-3)16-22(23)24(32)30(25(27)33)15-14-17-4-11-21(12-5-17)38(35,36)29-26(34)28-18-6-8-19(31)9-7-18/h4-5,10-13,16,18-19,31H,6-9,14-15H2,1-3H3,(H2,28,29,34)/t18-,19+
InChIKey HQTIPOUQTNKDNA-KDURUIRLSA-N
Literature Reference Author R.A.HILL,S.RUDRA,B.PENG,D.S.ROANE,J.K.BOUNDS,Y.ZHANG,A.ADLOO ,T.LU
Literature Reference Citation BIOORG.MED.CHEM.,11,2099(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00606-5
Molecular Weight 543.635 g/mol
Sample ID 29278
Solvent DMSO-D6