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11-Tosyl-12-(tosylmethyl)-11-heneicosen-9-yne
SpectraBase Compound ID JdR0HhO1JUA
InChI InChI=1S/C36H52O4S2/c1-5-7-9-11-13-15-17-19-21-36(42(39,40)35-28-24-32(4)25-29-35)33(20-18-16-14-12-10-8-6-2)30-41(37,38)34-26-22-31(3)23-27-34/h22-29H,5-18,20,30H2,1-4H3/b36-33+
InChIKey DOWYEKCEVZPSNJ-PKUSAGTQSA-N
Mol Weight 612.9 g/mol
Molecular Formula C36H52O4S2
Exact Mass 612.330702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8B4TiRrZPQz
Name 11-Tosyl-12-(tosylmethyl)-11-heneicosen-9-yne
Alternate Name(s) 1-Methyl-4-({(2E)-3-[(4-methylphenyl)sulfonyl]-2-nonyl-2-tridecen-4-ynyl}sulfonyl)benzene
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Formula C36H52O4S2
InChI InChI=1S/C36H52O4S2/c1-5-7-9-11-13-15-17-19-21-36(42(39,40)35-28-24-32(4)25-29-35)33(20-18-16-14-12-10-8-6-2)30-41(37,38)34-26-22-31(3)23-27-34/h22-29H,5-18,20,30H2,1-4H3/b36-33+
InChIKey DOWYEKCEVZPSNJ-PKUSAGTQSA-N
Molecular Weight 612.928 g/mol
SMILES C(\C(=C/(S(c1ccc(cc1)C)(=O)=O)C#CCCCCCCCC)CCCCCCCCC)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0zg0-1819800000-86ca614cb7e04d0b6677
Source of Spectrum AJ-65-1386-7
Wiley ID 771337