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4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID KMq4KPM7yzn
InChI InChI=1S/C22H23N3O3S/c1-14-20-21(15-9-10-18(28-3)16(11-15)12-27-2)29-13-19(26)23-22(20)25(24-14)17-7-5-4-6-8-17/h4-11,21H,12-13H2,1-3H3,(H,23,26)
InChIKey KFYSRHWBSUJCSP-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C22H23N3O3S
Exact Mass 409.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K5E8jzszp50
Name 4-[4-methoxy-3-(methoxymethyl)phenyl]-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/C22H23N3O3S/c1-14-20-21(15-9-10-18(28-3)16(11-15)12-27-2)29-13-19(26)23-22(20)25(24-14)17-7-5-4-6-8-17/h4-11,21H,12-13H2,1-3H3,(H,23,26)
InChIKey KFYSRHWBSUJCSP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20091
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: D18359; Labnumber: AMIR2-0754; SBI_ID: SBI-020095
Temperature 306 °C