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2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID 6jWVjUNaapM
InChI InChI=1S/C26H25BrN2O2S/c1-2-29-24(31)22-23(20-8-4-3-7-18(20)15-26(22)13-5-6-14-26)28-25(29)32-16-21(30)17-9-11-19(27)12-10-17/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKey QXTRHUGCRNFAEQ-UHFFFAOYSA-N
Mol Weight 509.46 g/mol
Molecular Formula C26H25BrN2O2S
Exact Mass 508.082012 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2CtJuOSeYvr
Name 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-ethyl-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/C26H25BrN2O2S/c1-2-29-24(31)22-23(20-8-4-3-7-18(20)15-26(22)13-5-6-14-26)28-25(29)32-16-21(30)17-9-11-19(27)12-10-17/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKey QXTRHUGCRNFAEQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7240
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/12238567