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1,4-bis[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]hexahydro-1H-1,4-diazepine

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1,4-bis[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]hexahydro-1H-1,4-diazepine
SpectraBase Compound ID 9Q0nsilaudR
InChI InChI=1S/C25H22Cl2N2O2S2/c1-14-4-6-16-18(12-14)32-22(20(16)26)24(30)28-8-3-9-29(11-10-28)25(31)23-21(27)17-7-5-15(2)13-19(17)33-23/h4-7,12-13H,3,8-11H2,1-2H3
InChIKey UZMLFVPFXQYKSR-UHFFFAOYSA-N
Mol Weight 517.49 g/mol
Molecular Formula C25H22Cl2N2O2S2
Exact Mass 516.049976 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7BHrZeOHmRE
Name 1,4-bis[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]hexahydro-1H-1,4-diazepine
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/C25H22Cl2N2O2S2/c1-14-4-6-16-18(12-14)32-22(20(16)26)24(30)28-8-3-9-29(11-10-28)25(31)23-21(27)17-7-5-15(2)13-19(17)33-23/h4-7,12-13H,3,8-11H2,1-2H3
InChIKey UZMLFVPFXQYKSR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8080
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: UZI/9020819; UBI_ID: UBI-008083
Temperature 318 °C