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3-allyl-2-(butylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID 3V40Jr2WQ2Y
InChI InChI=1S/C24H30N2OS/c1-3-5-16-28-23-25-21-19-12-8-7-11-18(19)17-24(13-9-6-10-14-24)20(21)22(27)26(23)15-4-2/h4,7-8,11-12H,2-3,5-6,9-10,13-17H2,1H3
InChIKey QPMLYPXHSWZKFJ-UHFFFAOYSA-N
Mol Weight 394.58 g/mol
Molecular Formula C24H30N2OS
Exact Mass 394.207885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8hhnquaNcRW
Name 3-allyl-2-(butylthio)-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/C24H30N2OS/c1-3-5-16-28-23-25-21-19-12-8-7-11-18(19)17-24(13-9-6-10-14-24)20(21)22(27)26(23)15-4-2/h4,7-8,11-12H,2-3,5-6,9-10,13-17H2,1H3
InChIKey QPMLYPXHSWZKFJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7169
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/12238457