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8-tert-butyl-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
SpectraBase Compound ID 2ltcMLMe3VX
InChI InChI=1S/C16H18N4OS/c1-16(2,3)13-9-10-17-20-14(18-19-15(20)22-13)11-7-5-6-8-12(11)21-4/h5-10H,1-4H3
InChIKey KVANGSRRXKJYSW-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 Jn7VcHs2LSQ
Name 8-tert-butyl-3-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepine
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/c1-16(2,3)13-9-10-17-20-14(18-19-15(20)22-13)11-7-5-6-8-12(11)21-4/h5-10H,1-4H3
InChIKey KVANGSRRXKJYSW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35285
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: E90737; SBI_ID: SBI-035289
Synonyms 2-(8-tert-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-3-yl)phenyl methyl ether
Temperature 308 °C