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3-(2-methylallyl)-2-((2-methylallyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID GazwUYL1o0F
InChI InChI=1S/C25H30N2OS/c1-17(2)15-27-23(28)21-22(26-24(27)29-16-18(3)4)20-11-7-6-10-19(20)14-25(21)12-8-5-9-13-25/h6-7,10-11H,1,3,5,8-9,12-16H2,2,4H3
InChIKey NNXNNRAMHXDNLD-UHFFFAOYSA-N
Mol Weight 406.59 g/mol
Molecular Formula C25H30N2OS
Exact Mass 406.207885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LaSDslqnfcM
Name 3-(2-methylallyl)-2-((2-methylallyl)thio)-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/C25H30N2OS/c1-17(2)15-27-23(28)21-22(26-24(27)29-16-18(3)4)20-11-7-6-10-19(20)14-25(21)12-8-5-9-13-25/h6-7,10-11H,1,3,5,8-9,12-16H2,2,4H3
InChIKey NNXNNRAMHXDNLD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7228
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/12238549