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2-(ethylthio)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID 93sObjWoR1p
InChI InChI=1S/C25H26N2O2S/c1-3-30-24-26-22-20-9-5-4-8-17(20)16-25(14-6-7-15-25)21(22)23(28)27(24)18-10-12-19(29-2)13-11-18/h4-5,8-13H,3,6-7,14-16H2,1-2H3
InChIKey FDDIQTJFBGCJGF-UHFFFAOYSA-N
Mol Weight 418.56 g/mol
Molecular Formula C25H26N2O2S
Exact Mass 418.171499 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HmdhhOvjFaQ
Name 2-(ethylthio)-3-(4-methoxyphenyl)-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/C25H26N2O2S/c1-3-30-24-26-22-20-9-5-4-8-17(20)16-25(14-6-7-15-25)21(22)23(28)27(24)18-10-12-19(29-2)13-11-18/h4-5,8-13H,3,6-7,14-16H2,1-2H3
InChIKey FDDIQTJFBGCJGF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10941
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/8023309; Labnumber: MMA14-0737; UZI_ID: UZI-010943
Temperature 318 °C