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2-(benzylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID IoDziLAlapI
InChI InChI=1S/C26H28N2OS/c1-2-28-24(29)22-23(27-25(28)30-18-19-11-5-3-6-12-19)21-14-8-7-13-20(21)17-26(22)15-9-4-10-16-26/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3
InChIKey XCGKGZWNINADFQ-UHFFFAOYSA-N
Mol Weight 416.58 g/mol
Molecular Formula C26H28N2OS
Exact Mass 416.192235 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7dE4Gk2Tsxw
Name 2-(benzylthio)-3-ethyl-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/C26H28N2OS/c1-2-28-24(29)22-23(27-25(28)30-18-19-11-5-3-6-12-19)21-14-8-7-13-20(21)17-26(22)15-9-4-10-16-26/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3
InChIKey XCGKGZWNINADFQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3441
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: 112145; Labnumber: AMIR-4203; VK_ID: VK-003442
Temperature 318 °C