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3-cyclohexyl-2-(prop-2-yn-1-ylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID 75EbcQpxHAR
InChI InChI=1S/C26H30N2OS/c1-2-17-30-25-27-23-21-14-8-7-11-19(21)18-26(15-9-4-10-16-26)22(23)24(29)28(25)20-12-5-3-6-13-20/h1,7-8,11,14,20H,3-6,9-10,12-13,15-18H2
InChIKey ZEWYAZINUPGTCC-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H30N2OS
Exact Mass 418.207885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7JIEMXIbF0E
Name 3-cyclohexyl-2-(prop-2-yn-1-ylthio)-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/C26H30N2OS/c1-2-17-30-25-27-23-21-14-8-7-11-19(21)18-26(15-9-4-10-16-26)22(23)24(29)28(25)20-12-5-3-6-13-20/h1,7-8,11,14,20H,3-6,9-10,12-13,15-18H2
InChIKey ZEWYAZINUPGTCC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7184
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/12238474