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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(2-benzothiazolyl)-4-(3-ethoxy-4-methoxyphenyl)-4,8-dihydro-3-methyl-
SpectraBase Compound ID 4B8QdD6feND
InChI InChI=1S/C23H22N4O3S2/c1-4-30-17-11-14(9-10-16(17)29-3)21-20-13(2)26-27(22(20)25-19(28)12-31-21)23-24-15-7-5-6-8-18(15)32-23/h5-11,21H,4,12H2,1-3H3,(H,25,28)
InChIKey XCLSXPZXMJVHHX-UHFFFAOYSA-N
Mol Weight 466.57 g/mol
Molecular Formula C23H22N4O3S2
Exact Mass 466.113333 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EYrTS5k0odO
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(2-benzothiazolyl)-4-(3-ethoxy-4-methoxyphenyl)-4,8-dihydro-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/C23H22N4O3S2/c1-4-30-17-11-14(9-10-16(17)29-3)21-20-13(2)26-27(22(20)25-19(28)12-31-21)23-24-15-7-5-6-8-18(15)32-23/h5-11,21H,4,12H2,1-3H3,(H,25,28)
InChIKey XCLSXPZXMJVHHX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3615
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/17231338; Labnumber: DUD-7030136