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2-(butylthio)-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID EVcJTNVOewF
InChI InChI=1S/C27H36N2OS/c1-2-3-17-31-26-28-24-22-14-8-7-13-21(22)18-27(15-9-4-10-16-27)23(24)25(30)29(26)19-20-11-5-6-12-20/h7-8,13-14,20H,2-6,9-12,15-19H2,1H3
InChIKey GVUSNFDCNULYHA-UHFFFAOYSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H36N2OS
Exact Mass 436.254835 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FMX8rbicNnx
Name 2-(butylthio)-3-(cyclopentylmethyl)-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/C27H36N2OS/c1-2-3-17-31-26-28-24-22-14-8-7-13-21(22)18-27(15-9-4-10-16-27)23(24)25(30)29(26)19-20-11-5-6-12-20/h7-8,13-14,20H,2-6,9-12,15-19H2,1H3
InChIKey GVUSNFDCNULYHA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7154
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/12238434