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2-(butylthio)-3-cyclopentyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID BF9od6XzgeN
InChI InChI=1S/C26H34N2OS/c1-2-3-17-30-25-27-23-21-14-8-5-11-19(21)18-26(15-9-4-10-16-26)22(23)24(29)28(25)20-12-6-7-13-20/h5,8,11,14,20H,2-4,6-7,9-10,12-13,15-18H2,1H3
InChIKey BHPDAJYMLPRQCM-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 3L0RLGkM0Y3
Name 2-(butylthio)-3-cyclopentyl-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/C26H34N2OS/c1-2-3-17-30-25-27-23-21-14-8-5-11-19(21)18-26(15-9-4-10-16-26)22(23)24(29)28(25)20-12-6-7-13-20/h5,8,11,14,20H,2-4,6-7,9-10,12-13,15-18H2,1H3
InChIKey BHPDAJYMLPRQCM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7148
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/12238427