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2-(prop-2-yn-1-ylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID 742ilIceS0K
InChI InChI=1S/C26H24N2OS/c1-3-16-30-25-27-23-21-9-5-4-8-19(21)17-26(14-6-7-15-26)22(23)24(29)28(25)20-12-10-18(2)11-13-20/h1,4-5,8-13H,6-7,14-17H2,2H3
InChIKey IWZWQWTXCHWMLA-UHFFFAOYSA-N
Mol Weight 412.55 g/mol
Molecular Formula C26H24N2OS
Exact Mass 412.160935 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1c5t0neeEMM
Name 2-(prop-2-yn-1-ylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-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/C26H24N2OS/c1-3-16-30-25-27-23-21-9-5-4-8-19(21)17-26(14-6-7-15-26)22(23)24(29)28(25)20-12-10-18(2)11-13-20/h1,4-5,8-13H,6-7,14-17H2,2H3
InChIKey IWZWQWTXCHWMLA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10945
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: UZI/8021330; Labnumber: MMA14-0749; UZI_ID: UZI-010947
Temperature 318 °C