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

*Links on SpectraBase are not permalinks.
4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID 9SdunQMdYX3
InChI InChI=1S/C19H15Cl2N3OS/c1-11-17-18(14-8-7-12(20)9-15(14)21)26-10-16(25)22-19(17)24(23-11)13-5-3-2-4-6-13/h2-9,18H,10H2,1H3,(H,22,25)
InChIKey IHWFLTDOTRBXIF-UHFFFAOYSA-N
Mol Weight 404.32 g/mol
Molecular Formula C19H15Cl2N3OS
Exact Mass 403.031289 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 3xlIDi8vFV9
Name 4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-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/C19H15Cl2N3OS/c1-11-17-18(14-8-7-12(20)9-15(14)21)26-10-16(25)22-19(17)24(23-11)13-5-3-2-4-6-13/h2-9,18H,10H2,1H3,(H,22,25)
InChIKey IHWFLTDOTRBXIF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20090
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: D18358; Labnumber: AMIR2-0753; SBI_ID: SBI-020094
Temperature 306 °C