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3-(methylthio)-7H-spiro[benzo[d][1,2,4]triazino[6,5-f][1,3]oxazepine-6,1'-cyclohexane]
SpectraBase Compound ID F7esjGg30HZ
InChI InChI=1S/C16H18N4OS/c1-22-15-17-14-13(19-20-15)11-7-3-4-8-12(11)18-16(21-14)9-5-2-6-10-16/h3-4,7-8,18H,2,5-6,9-10H2,1H3
InChIKey KRQGLAIGSQNSNK-UHFFFAOYSA-N
Mol Weight 314.41 g/mol
Molecular Formula C16H18N4OS
Exact Mass 314.120132 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5to9AX6ZgAf
Name 3-(methylthio)-7H-spiro[benzo[d][1,2,4]triazino[6,5-f][1,3]oxazepine-6,1'-cyclohexane]
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/C16H18N4OS/c1-22-15-17-14-13(19-20-15)11-7-3-4-8-12(11)18-16(21-14)9-5-2-6-10-16/h3-4,7-8,18H,2,5-6,9-10H2,1H3
InChIKey KRQGLAIGSQNSNK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18417
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/9123063; UBI_ID: UBI-018420
Temperature 318 °C