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3-[2-Benzothiazolylthioacetyl L-methionyl]-1,3-dihydroindol-2-one hydrazone
SpectraBase Compound ID AUJa8wLczTG
InChI InChI=1S/C22H21N5O3S3/c1-31-11-10-16(20(29)27-26-19-13-6-2-3-7-14(13)24-21(19)30)23-18(28)12-32-22-25-15-8-4-5-9-17(15)33-22/h2-9,16H,10-12H2,1H3,(H,23,28)(H,27,29)(H,24,26,30)/t16-/m0/s1
InChIKey KTIXTFTUVLPYTQ-INIZCTEOSA-N
Mol Weight 499.62 g/mol
Molecular Formula C22H21N5O3S3
Exact Mass 499.080653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTExqCQ4C5N
Name 3-[2-Benzothiazolylthioacetyl L-methionyl]-1,3-dihydroindol-2-one hydrazone
Appearance Yellow crystals
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Formula C22H21N5O3S3
InChI InChI=1S/C22H21N5O3S3/c1-31-11-10-16(20(29)27-26-19-13-6-2-3-7-14(13)24-21(19)30)23-18(28)12-32-22-25-15-8-4-5-9-17(15)33-22/h2-9,16H,10-12H2,1H3,(H,23,28)(H,27,29)(H,24,26,30)/t16-/m0/s1
InChIKey KTIXTFTUVLPYTQ-INIZCTEOSA-N
Instrument Name Shimadzu GC-MSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.925
Molecular Weight 499.622 g/mol
SMILES N([C@](C(N\N=C/1c2c(cccc2)NC1=O)=O)(CCSC)[H])C(=O)CSc1sc2c(n1)cccc2
SPLASH splash10-0aor-1940000000-629d322cb34ca581687c
Source of Spectrum ARK-2011-350-13a
Thin-Layer Chromatography Rf = 0.52 (Chloroform/Methanol, 95:5)
Wiley ID 1864509