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3-allyl-2-(pentylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID 79aopRJtlGM
InChI InChI=1S/C25H32N2OS/c1-3-5-11-17-29-24-26-22-20-13-8-7-12-19(20)18-25(14-9-6-10-15-25)21(22)23(28)27(24)16-4-2/h4,7-8,12-13H,2-3,5-6,9-11,14-18H2,1H3
InChIKey NURDZNMRHYNZCW-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H32N2OS
Exact Mass 408.223535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Hee0hRhsl2
Name 3-allyl-2-(pentylthio)-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/C25H32N2OS/c1-3-5-11-17-29-24-26-22-20-13-8-7-12-19(20)18-25(14-9-6-10-15-25)21(22)23(28)27(24)16-4-2/h4,7-8,12-13H,2-3,5-6,9-11,14-18H2,1H3
InChIKey NURDZNMRHYNZCW-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3489
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: 112208; Labnumber: AMIR-4537; VK_ID: VK-003490
Temperature 308 °C