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2-(butylthio)-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID 2S9UC9u2zQA
InChI InChI=1S/C26H34N2OS/c1-2-3-16-30-25-27-23-21-13-7-6-12-20(21)17-26(14-8-9-15-26)22(23)24(29)28(25)18-19-10-4-5-11-19/h6-7,12-13,19H,2-5,8-11,14-18H2,1H3
InChIKey VYQGBELCEXOGLW-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C26H34N2OS
Exact Mass 422.239185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LY8z3g2ykdf
Name 2-(butylthio)-3-(cyclopentylmethyl)-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/C26H34N2OS/c1-2-3-16-30-25-27-23-21-13-7-6-12-20(21)17-26(14-8-9-15-26)22(23)24(29)28(25)18-19-10-4-5-11-19/h6-7,12-13,19H,2-5,8-11,14-18H2,1H3
InChIKey VYQGBELCEXOGLW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7205
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/12238511