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2-(cyclopentylthio)-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID 96IkYBE1ChP
InChI InChI=1S/C27H30N2O2S/c30-25-23-24(22-13-5-2-9-19(22)17-27(23)14-6-1-7-15-27)28-26(32-21-11-3-4-12-21)29(25)18-20-10-8-16-31-20/h2,5,8-10,13,16,21H,1,3-4,6-7,11-12,14-15,17-18H2
InChIKey QGTRNKKHZDVDNA-UHFFFAOYSA-N
Mol Weight 446.61 g/mol
Molecular Formula C27H30N2O2S
Exact Mass 446.202799 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IbEDqfHhLNN
Name 2-(cyclopentylthio)-3-(furan-2-ylmethyl)-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/C27H30N2O2S/c30-25-23-24(22-13-5-2-9-19(22)17-27(23)14-6-1-7-15-27)28-26(32-21-11-3-4-12-21)29(25)18-20-10-8-16-31-20/h2,5,8-10,13,16,21H,1,3-4,6-7,11-12,14-15,17-18H2
InChIKey QGTRNKKHZDVDNA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5258
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/12218936