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Tert-Butyl 2-[1-[3-Butyl-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]ethyl]hydrazinecarboxylate
SpectraBase Compound ID DrCxPNJTldJ
InChI InChI=1S/C20H27ClN4O3S/c1-6-7-12-25-17(26)16(13(2)23-24-19(27)28-20(3,4)5)29-18(25)22-15-10-8-14(21)9-11-15/h8-11,23H,6-7,12H2,1-5H3,(H,24,27)/b16-13+,22-18-
InChIKey FMKFHEGBNQQMKS-JVZOGPKESA-N
Mol Weight 438.97 g/mol
Molecular Formula C20H27ClN4O3S
Exact Mass 438.14924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4L040AtSOHq
Name Tert-Butyl 2-[1-[3-Butyl-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]ethyl]hydrazinecarboxylate
Alternate Name(s) tert-Butyl 2-((E)-1-((Z)-3-butyl-2-((4-chlorophenyl)imino)-4-oxothiazolidin-5-ylidene)ethyl)hydrazinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27ClN4O3S
InChI InChI=1S/C20H27ClN4O3S/c1-6-7-12-25-17(26)16(13(2)23-24-19(27)28-20(3,4)5)29-18(25)22-15-10-8-14(21)9-11-15/h8-11,23H,6-7,12H2,1-5H3,(H,24,27)/b16-13+,22-18-
InChIKey FMKFHEGBNQQMKS-JVZOGPKESA-N
Literature Reference DOI 10.1021/jo2021949
Molecular Weight 438.974 g/mol
SMILES N(N\C(=C/1S\C(N(C1=O)CCCC)=N/c1ccc(cc1)Cl)C)C(=O)OC(C)(C)C
SPLASH splash10-001i-0956100000-c91b12d5591ea0e6c693
Source of Spectrum J-77-1166-5f
Wiley ID 1744967