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2-(allylthio)-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID LLTrKtFkcNQ
InChI InChI=1S/C26H32N2OS/c1-2-16-30-25-27-23-21-13-7-6-12-20(21)17-26(14-8-3-9-15-26)22(23)24(29)28(25)18-19-10-4-5-11-19/h2,6-7,12-13,19H,1,3-5,8-11,14-18H2
InChIKey YKNCQYTYHBMPBK-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C26H32N2OS
Exact Mass 420.223535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Em2ewFg7WDI
Name 2-(allylthio)-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/C26H32N2OS/c1-2-16-30-25-27-23-21-13-7-6-12-20(21)17-26(14-8-3-9-15-26)22(23)24(29)28(25)18-19-10-4-5-11-19/h2,6-7,12-13,19H,1,3-5,8-11,14-18H2
InChIKey YKNCQYTYHBMPBK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7155
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/12238435