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3-(cyclohexylmethyl)-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID 3JNTmwXnsN2
InChI InChI=1S/C24H30N2OS/c1-28-23-25-21-19-12-6-5-11-18(19)15-24(13-7-8-14-24)20(21)22(27)26(23)16-17-9-3-2-4-10-17/h5-6,11-12,17H,2-4,7-10,13-16H2,1H3
InChIKey VUQPOCBIHSYKCQ-UHFFFAOYSA-N
Mol Weight 394.58 g/mol
Molecular Formula C24H30N2OS
Exact Mass 394.207885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ivx69uDca1C
Name 3-(cyclohexylmethyl)-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-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/C24H30N2OS/c1-28-23-25-21-19-12-6-5-11-18(19)15-24(13-7-8-14-24)20(21)22(27)26(23)16-17-9-3-2-4-10-17/h5-6,11-12,17H,2-4,7-10,13-16H2,1H3
InChIKey VUQPOCBIHSYKCQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7191
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/12238483