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3-Benzylidene-5-hexyl-N-phenyl-4-tosylthiomorpholin-2-imine
SpectraBase Compound ID H957y80O5hQ
InChI InChI=1S/C30H34N2O2S2/c1-3-4-5-12-17-27-23-35-30(31-26-15-10-7-11-16-26)29(22-25-13-8-6-9-14-25)32(27)36(33,34)28-20-18-24(2)19-21-28/h6-11,13-16,18-22,27H,3-5,12,17,23H2,1-2H3
InChIKey QQJHQOHCXLNBHI-UHFFFAOYSA-N
Mol Weight 518.7 g/mol
Molecular Formula C30H34N2O2S2
Exact Mass 518.206171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrDFV9gKREz
Name 3-Benzylidene-5-hexyl-N-phenyl-4-tosylthiomorpholin-2-imine
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34N2O2S2
InChI InChI=1S/C30H34N2O2S2/c1-3-4-5-12-17-27-23-35-30(31-26-15-10-7-11-16-26)29(22-25-13-8-6-9-14-25)32(27)36(33,34)28-20-18-24(2)19-21-28/h6-11,13-16,18-22,27H,3-5,12,17,23H2,1-2H3
InChIKey QQJHQOHCXLNBHI-UHFFFAOYSA-N
Instrument Name FinniganMAT-8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3418
Molecular Weight 518.734 g/mol
SMILES C1(=Nc2ccccc2)C(=Cc2ccccc2)N(S(c2ccc(C)cc2)(=O)=O)C(CCCCCC)CS1
SPLASH splash10-0a6r-7901000000-9ec0389659f0d7d80d44
Source of Spectrum Y-56-453-4d
Wiley ID 1859386