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(1R,9R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide
SpectraBase Compound ID 38KGVA8Ufxi
InChI InChI=1S/C20H21N3O3S/c24-19-3-1-2-16-14-8-13(11-23(16)19)10-22(12-14)20(27)21-15-4-5-17-18(9-15)26-7-6-25-17/h1-5,9,13-14H,6-8,10-12H2,(H,21,27)
InChIKey HGPBBNDHVWKVOU-UHFFFAOYSA-N
Mol Weight 383.47 g/mol
Molecular Formula C20H21N3O3S
Exact Mass 383.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DABWbo6hA2f
Name (1R,9R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide
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/C20H21N3O3S/c24-19-3-1-2-16-14-8-13(11-23(16)19)10-22(12-14)20(27)21-15-4-5-17-18(9-15)26-7-6-25-17/h1-5,9,13-14H,6-8,10-12H2,(H,21,27)
InChIKey HGPBBNDHVWKVOU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24520
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: D47584; Labnumber: NCOBK-0521; SBI_ID: SBI-024524
Synonyms N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide
Temperature 318 °C