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3-allyl-2-(isopentylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID Fvf1QmIRDJe
InChI InChI=1S/C25H32N2OS/c1-4-15-27-23(28)21-22(26-24(27)29-16-12-18(2)3)20-11-7-6-10-19(20)17-25(21)13-8-5-9-14-25/h4,6-7,10-11,18H,1,5,8-9,12-17H2,2-3H3
InChIKey AOSLKGLOPVJBTG-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H32N2OS
Exact Mass 408.223535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AWICpkc82EQ
Name 3-allyl-2-(isopentylthio)-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/C25H32N2OS/c1-4-15-27-23(28)21-22(26-24(27)29-16-12-18(2)3)20-11-7-6-10-19(20)17-25(21)13-8-5-9-14-25/h4,6-7,10-11,18H,1,5,8-9,12-17H2,2-3H3
InChIKey AOSLKGLOPVJBTG-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3488
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: 112207; Labnumber: AMIR-4536; VK_ID: VK-003489
Temperature 308 °C