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3-((E)-{2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazono}methyl)phenyl 3-fluorobenzoate
SpectraBase Compound ID 1bakd8PYOFM
InChI InChI=1S/C23H16FN3O4S/c24-17-7-4-6-16(12-17)22(29)30-18-8-3-5-15(11-18)13-25-27-21(28)14-32-23-26-19-9-1-2-10-20(19)31-23/h1-13H,14H2,(H,27,28)/b25-13+
InChIKey BSTOBUXLHRFWJH-DHRITJCHSA-N
Mol Weight 449.46 g/mol
Molecular Formula C23H16FN3O4S
Exact Mass 449.084555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DSIadoIrwrO
Name 3-((E)-{2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazono}methyl)phenyl 3-fluorobenzoate
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/C23H16FN3O4S/c24-17-7-4-6-16(12-17)22(29)30-18-8-3-5-15(11-18)13-25-27-21(28)14-32-23-26-19-9-1-2-10-20(19)31-23/h1-13H,14H2,(H,27,28)/b25-13+
InChIKey BSTOBUXLHRFWJH-DHRITJCHSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9663
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: 1001367; UBI_ID: UBI-009666
Synonyms 3-({2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazono}methyl)phenyl 3-fluorobenzoate
Temperature 313 °C