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

*Links on SpectraBase are not permalinks.
3-methyl-1-phenyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID 4SfBdLehl5U
InChI InChI=1S/C22H23N3O4S/c1-13-19-21(14-10-16(27-2)20(29-4)17(11-14)28-3)30-12-18(26)23-22(19)25(24-13)15-8-6-5-7-9-15/h5-11,21H,12H2,1-4H3,(H,23,26)
InChIKey DKFPBRIHJBERSA-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C22H23N3O4S
Exact Mass 425.140927 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 9OUt9tVEXjG
Name 3-methyl-1-phenyl-4-(3,4,5-trimethoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
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/C22H23N3O4S/c1-13-19-21(14-10-16(27-2)20(29-4)17(11-14)28-3)30-12-18(26)23-22(19)25(24-13)15-8-6-5-7-9-15/h5-11,21H,12H2,1-4H3,(H,23,26)
InChIKey DKFPBRIHJBERSA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20575
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: D18362; Labnumber: AMIR2-0759; SBI_ID: SBI-020579
Temperature 318 °C