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4-(4-methoxybenzyl)-1-(propylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
SpectraBase Compound ID 2e4YfOqFCFp
InChI InChI=1S/C29H32N4O2S/c1-3-17-36-28-31-30-27-32(19-20-11-13-22(35-2)14-12-20)26(34)24-25(33(27)28)23-10-6-5-9-21(23)18-29(24)15-7-4-8-16-29/h5-6,9-14H,3-4,7-8,15-19H2,1-2H3
InChIKey XUCTXIQVKMNJIV-UHFFFAOYSA-N
Mol Weight 500.7 g/mol
Molecular Formula C29H32N4O2S
Exact Mass 500.224597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KMnDqTF8NQl
Name 4-(4-methoxybenzyl)-1-(propylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H32N4O2S/c1-3-17-36-28-31-30-27-32(19-20-11-13-22(35-2)14-12-20)26(34)24-25(33(27)28)23-10-6-5-9-21(23)18-29(24)15-7-4-8-16-29/h5-6,9-14H,3-4,7-8,15-19H2,1-2H3
InChIKey XUCTXIQVKMNJIV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7618
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/10329439