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1,7-Diphenyl-4-tosyl-5-(tosylmethyl)-4-hepten-2-yne
SpectraBase Compound ID AptGwMfWcRz
InChI InChI=1S/C34H32O4S2/c1-27-16-22-32(23-17-27)39(35,36)26-31(21-20-30-12-7-4-8-13-30)34(15-9-14-29-10-5-3-6-11-29)40(37,38)33-24-18-28(2)19-25-33/h3-8,10-13,16-19,22-25H,14,20-21,26H2,1-2H3/b34-31-
InChIKey ZDRWIZLIXFENFF-NMSHJFGGSA-N
Mol Weight 568.7 g/mol
Molecular Formula C34H32O4S2
Exact Mass 568.174202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwVH1oteuJI
Name 1,7-Diphenyl-4-tosyl-5-(tosylmethyl)-4-hepten-2-yne
Alternate Name(s) 1-Methyl-4-{[(1Z)-2-{[(4-methylphenyl)sulfonyl]methyl}-4-phenyl-1-(3-phenyl-1-propynyl)-1-butenyl]sulfonyl}benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H32O4S2
InChI InChI=1S/C34H32O4S2/c1-27-16-22-32(23-17-27)39(35,36)26-31(21-20-30-12-7-4-8-13-30)34(15-9-14-29-10-5-3-6-11-29)40(37,38)33-24-18-28(2)19-25-33/h3-8,10-13,16-19,22-25H,14,20-21,26H2,1-2H3/b34-31-
InChIKey ZDRWIZLIXFENFF-NMSHJFGGSA-N
Molecular Weight 568.746 g/mol
SMILES C(\C(=C\(S(c1ccc(cc1)C)(=O)=O)C#CCc1ccccc1)CCc1ccccc1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4l-3590100000-f555f883a1a1104f74e3
Source of Spectrum AJ-65-1385-7
Wiley ID 771341