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2-Benzothiazolylthioacetyl L-methionyl 4'-hydroxy-3-methoxy-benzylidene hydrazone
SpectraBase Compound ID Jxm13AOvdzY
InChI InChI=1S/C22H24N4O4S3/c1-30-18-11-14(7-8-17(18)27)12-23-26-21(29)16(9-10-31-2)24-20(28)13-32-22-25-15-5-3-4-6-19(15)33-22/h3-8,11-12,16,27H,9-10,13H2,1-2H3,(H,24,28)(H,26,29)/b23-12+/t16-/m0/s1
InChIKey XTYSNODHMLETLJ-PDYUXYPTSA-N
Mol Weight 504.64 g/mol
Molecular Formula C22H24N4O4S3
Exact Mass 504.095969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vKoUpstzU
Name 2-Benzothiazolylthioacetyl L-methionyl 4'-hydroxy-3-methoxy-benzylidene hydrazone
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N4O4S3
InChI InChI=1S/C22H24N4O4S3/c1-30-18-11-14(7-8-17(18)27)12-23-26-21(29)16(9-10-31-2)24-20(28)13-32-22-25-15-5-3-4-6-19(15)33-22/h3-8,11-12,16,27H,9-10,13H2,1-2H3,(H,24,28)(H,26,29)/b23-12+/t16-/m0/s1
InChIKey XTYSNODHMLETLJ-PDYUXYPTSA-N
Instrument Name Shimadzu GC-MSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.925
Molecular Weight 504.638 g/mol
SMILES N([C@](C(N\N=C\c1ccc(c(c1)OC)O)=O)(CCSC)[H])C(=O)CSc1sc2c(n1)cccc2
SPLASH splash10-066r-0930000000-66ff94634f6a60245118
Source of Spectrum ARK-2011-351-14c
Thin-Layer Chromatography Rf = 0.43 (Chloroform/Methanol, 95:5)
Wiley ID 1864513