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3-allyl-2-(isopropylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID CcHmbcBpZbN
InChI InChI=1S/C23H28N2OS/c1-4-14-25-21(26)19-20(24-22(25)27-16(2)3)18-11-7-6-10-17(18)15-23(19)12-8-5-9-13-23/h4,6-7,10-11,16H,1,5,8-9,12-15H2,2-3H3
InChIKey HRNBQGFNDQKUED-UHFFFAOYSA-N
Mol Weight 380.55 g/mol
Molecular Formula C23H28N2OS
Exact Mass 380.192235 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D9uO3zDVw3D
Name 3-allyl-2-(isopropylthio)-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/C23H28N2OS/c1-4-14-25-21(26)19-20(24-22(25)27-16(2)3)18-11-7-6-10-17(18)15-23(19)12-8-5-9-13-23/h4,6-7,10-11,16H,1,5,8-9,12-15H2,2-3H3
InChIKey HRNBQGFNDQKUED-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3486
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: 112205; Labnumber: AMIR-4534; VK_ID: VK-003487
Temperature 308 °C