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3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-(isopentylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID DtXzfGf7a9v
InChI InChI=1S/C29H40N2O2S/c1-20(2)13-17-34-27-30-25-23-11-7-6-10-21(23)18-29(14-8-5-9-15-29)24(25)26(32)31(27)22-12-16-33-28(3,4)19-22/h6-7,10-11,20,22H,5,8-9,12-19H2,1-4H3
InChIKey RIUSRJSDGZTEOR-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C29H40N2O2S
Exact Mass 480.28105 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5fym9p9B50k
Name 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-(isopentylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
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/C29H40N2O2S/c1-20(2)13-17-34-27-30-25-23-11-7-6-10-21(23)18-29(14-8-5-9-15-29)24(25)26(32)31(27)22-12-16-33-28(3,4)19-22/h6-7,10-11,20,22H,5,8-9,12-19H2,1-4H3
InChIKey RIUSRJSDGZTEOR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7276
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: NMR/12238618