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3-[(4-chloro-2-isopropyl-5-methylphenoxy)methyl]-4-methoxybenzaldehyde N-phenylthiosemicarbazone
SpectraBase Compound ID Hy9rkqoNPlD
InChI InChI=1S/C26H28ClN3O2S/c1-17(2)22-14-23(27)18(3)12-25(22)32-16-20-13-19(10-11-24(20)31-4)15-28-30-26(33)29-21-8-6-5-7-9-21/h5-15,17H,16H2,1-4H3,(H2,29,30,33)/b28-15+
InChIKey USCADWDVXNFMHC-RWPZCVJISA-N
Mol Weight 482.04 g/mol
Molecular Formula C26H28ClN3O2S
Exact Mass 481.159076 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DuxCzJiMK0s
Name 3-[(4-chloro-2-isopropyl-5-methylphenoxy)methyl]-4-methoxybenzaldehyde N-phenylthiosemicarbazone
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/C26H28ClN3O2S/c1-17(2)22-14-23(27)18(3)12-25(22)32-16-20-13-19(10-11-24(20)31-4)15-28-30-26(33)29-21-8-6-5-7-9-21/h5-15,17H,16H2,1-4H3,(H2,29,30,33)/b28-15+
InChIKey USCADWDVXNFMHC-RWPZCVJISA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16111
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: D09970; Labnumber: KHAN-0576; SBI_ID: SBI-016114
Temperature 308 °C