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1-[(3-chloro-6-nitro-1-benzothien-2-yl)carbonyl]-4-(3-phenyl-2-propynoyl)piperazine
SpectraBase Compound ID 3sxQpc1e782
InChI InChI=1S/C22H16ClN3O4S/c23-20-17-8-7-16(26(29)30)14-18(17)31-21(20)22(28)25-12-10-24(11-13-25)19(27)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,10-13H2
InChIKey OHCVRVQCYGVTEW-UHFFFAOYSA-N
Mol Weight 453.9 g/mol
Molecular Formula C22H16ClN3O4S
Exact Mass 453.055005 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J1g32gjElbn
Name 1-[(3-chloro-6-nitro-1-benzothien-2-yl)carbonyl]-4-(3-phenyl-2-propynoyl)piperazine
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/C22H16ClN3O4S/c23-20-17-8-7-16(26(29)30)14-18(17)31-21(20)22(28)25-12-10-24(11-13-25)19(27)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,10-13H2
InChIKey OHCVRVQCYGVTEW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1161
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/1243035; Labnumber: AC-NHALL/0947505; UZI_ID: UZI-001163
Temperature 318 °C