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4-((E)-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono}methyl)-2-methoxyphenyl 4-methylbenzoate
SpectraBase Compound ID vujwPTSNOe
InChI InChI=1S/C25H21N3O4S2/c1-16-7-10-18(11-8-16)24(30)32-20-12-9-17(13-21(20)31-2)14-26-28-23(29)15-33-25-27-19-5-3-4-6-22(19)34-25/h3-14H,15H2,1-2H3,(H,28,29)/b26-14+
InChIKey XBBXMOOBMXLZMH-VULFUBBASA-N
Mol Weight 491.58 g/mol
Molecular Formula C25H21N3O4S2
Exact Mass 491.097349 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C0YzyqTvNHa
Name 4-((E)-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono}methyl)-2-methoxyphenyl 4-methylbenzoate
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/C25H21N3O4S2/c1-16-7-10-18(11-8-16)24(30)32-20-12-9-17(13-21(20)31-2)14-26-28-23(29)15-33-25-27-19-5-3-4-6-22(19)34-25/h3-14H,15H2,1-2H3,(H,28,29)/b26-14+
InChIKey XBBXMOOBMXLZMH-VULFUBBASA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9807
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: 1001535; UBI_ID: UBI-009810
Synonyms 4-({[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono}methyl)-2-methoxyphenyl 4-methylbenzoate
Temperature 313 °C