For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(2-benzothiazolyl)-4,8-dihydro-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-
SpectraBase Compound ID 8aZKnQJCy1R
InChI InChI=1S/C21H18N4O3S2/c1-11-18-19(12-7-8-15(28-2)14(26)9-12)29-10-17(27)23-20(18)25(24-11)21-22-13-5-3-4-6-16(13)30-21/h3-9,19,26H,10H2,1-2H3,(H,23,27)
InChIKey JFUXATSNOPTCAF-UHFFFAOYSA-N
Mol Weight 438.52 g/mol
Molecular Formula C21H18N4O3S2
Exact Mass 438.082033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ki7JQWLgbBG
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(2-benzothiazolyl)-4,8-dihydro-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-
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/C21H18N4O3S2/c1-11-18-19(12-7-8-15(28-2)14(26)9-12)29-10-17(27)23-20(18)25(24-11)21-22-13-5-3-4-6-16(13)30-21/h3-9,19,26H,10H2,1-2H3,(H,23,27)
InChIKey JFUXATSNOPTCAF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3602
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/17231323; Labnumber: DUD-7030121