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2-((3-methyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetonitrile
SpectraBase Compound ID 9uVMAjPDJev
InChI InChI=1S/C20H21N3OS/c1-23-18(24)16-17(22-19(23)25-12-11-21)15-8-4-3-7-14(15)13-20(16)9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-10,12-13H2,1H3
InChIKey BWFYBPCGDRGUSQ-UHFFFAOYSA-N
Mol Weight 351.47 g/mol
Molecular Formula C20H21N3OS
Exact Mass 351.140533 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4jFmAWTpfeV
Name 2-((3-methyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetonitrile
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/C20H21N3OS/c1-23-18(24)16-17(22-19(23)25-12-11-21)15-8-4-3-7-14(15)13-20(16)9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-10,12-13H2,1H3
InChIKey BWFYBPCGDRGUSQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10935
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/8023758; Labnumber: MMA14-0701; UZI_ID: UZI-010937
Temperature 318 °C