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3-ethyl-2-(ethylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID CiKtTrlHBSz
InChI InChI=1S/C21H26N2OS/c1-3-23-19(24)17-18(22-20(23)25-4-2)16-11-7-6-10-15(16)14-21(17)12-8-5-9-13-21/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3
InChIKey KLZNRAWYCWTFHJ-UHFFFAOYSA-N
Mol Weight 354.51 g/mol
Molecular Formula C21H26N2OS
Exact Mass 354.176585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GAxaBjx4CRU
Name 3-ethyl-2-(ethylthio)-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/C21H26N2OS/c1-3-23-19(24)17-18(22-20(23)25-4-2)16-11-7-6-10-15(16)14-21(17)12-8-5-9-13-21/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3
InChIKey KLZNRAWYCWTFHJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7216
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/12238528