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2-Benzothiazolylthioacetyl L-methionyl 4'-nitro-benzylidene hydrazone
SpectraBase Compound ID 6Esu4I9ojN6
InChI InChI=1S/C21H21N5O4S3/c1-31-11-10-17(20(28)25-22-12-14-6-8-15(9-7-14)26(29)30)23-19(27)13-32-21-24-16-4-2-3-5-18(16)33-21/h2-9,12,17H,10-11,13H2,1H3,(H,23,27)(H,25,28)/b22-12+/t17-/m0/s1
InChIKey HRNTUENBGGXSIP-QQZPLFJDSA-N
Mol Weight 503.61 g/mol
Molecular Formula C21H21N5O4S3
Exact Mass 503.075568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALCyMMGvTya
Name 2-Benzothiazolylthioacetyl L-methionyl 4'-nitro-benzylidene hydrazone
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N5O4S3
InChI InChI=1S/C21H21N5O4S3/c1-31-11-10-17(20(28)25-22-12-14-6-8-15(9-7-14)26(29)30)23-19(27)13-32-21-24-16-4-2-3-5-18(16)33-21/h2-9,12,17H,10-11,13H2,1H3,(H,23,27)(H,25,28)/b22-12+/t17-/m0/s1
InChIKey HRNTUENBGGXSIP-QQZPLFJDSA-N
Instrument Name Shimadzu GC-MSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.925
Molecular Weight 503.610 g/mol
SMILES N([C@](C(N\N=C\c1ccc(cc1)[N+]([O-])=O)=O)(CCSC)[H])C(=O)CSc1sc2c(n1)cccc2
SPLASH splash10-004i-9701000000-337d8e4afba2545640e4
Source of Spectrum ARK-2011-350-14a
Thin-Layer Chromatography Rf = 0.47 (Chloroform/Methanol, 95:5)
Wiley ID 1864511