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4-(4-isopropoxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID LVyzUfjIoyD
InChI InChI=1S/C22H23N3O2S/c1-14(2)27-18-11-9-16(10-12-18)21-20-15(3)24-25(17-7-5-4-6-8-17)22(20)23-19(26)13-28-21/h4-12,14,21H,13H2,1-3H3,(H,23,26)
InChIKey QUIGEOYMAQFVPO-UHFFFAOYSA-N
Mol Weight 393.51 g/mol
Molecular Formula C22H23N3O2S
Exact Mass 393.151098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JH0mRyL1tty
Name 4-(4-isopropoxyphenyl)-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/C22H23N3O2S/c1-14(2)27-18-11-9-16(10-12-18)21-20-15(3)24-25(17-7-5-4-6-8-17)22(20)23-19(26)13-28-21/h4-12,14,21H,13H2,1-3H3,(H,23,26)
InChIKey QUIGEOYMAQFVPO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20577
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: D18364; Labnumber: AMIR2-0761; SBI_ID: SBI-020581
Temperature 318 °C