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2-Hydroxy-2',4-dimethoxy-4'-tosyloxydiphenylacetylene
SpectraBase Compound ID AuKSUhs3oiI
InChI InChI=1S/C23H20O6S/c1-16-4-12-21(13-5-16)30(25,26)29-20-11-9-18(23(15-20)28-3)7-6-17-8-10-19(27-2)14-22(17)24/h4-5,8-15,24H,1-3H3
InChIKey XOHPKHFWVMQISJ-UHFFFAOYSA-N
Mol Weight 424.47 g/mol
Molecular Formula C23H20O6S
Exact Mass 424.09806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtBhEc2r0ni
Name 2-Hydroxy-2',4-dimethoxy-4'-tosyloxydiphenylacetylene
Alternate Name(s) 4-methylbenzenesulfonic acid[4-[2-(2-hydroxy-4-methoxy-phenyl)ethynyl]-3-methoxy-phenyl]ester 4-[(2-hydroxy-4-methoxyphenyl)ethynyl]-3-methoxyphenyl 4-methylbenzenesulfonate [3-methoxy-4-[2-(4-methoxy-2-oxidanyl-phenyl)ethynyl]phenyl]4-methylbenzenesulfonate [4-[2-(2-hydroxy-4-methoxy-phenyl)ethynyl]-3-methoxy-phenyl]4-methylbenzenesulfonate 4-methylbenzenesulfonic acid [4-[2-(2-hydroxy-4-methoxyphenyl)ethynyl]-3-methoxyphenyl] ester [4-[2-(2-hydroxy-4-methoxyphenyl)ethynyl]-3-methoxyphenyl] 4-methylbenzenesulfonate [4-[2-(2-hydroxy-4-methoxy-phenyl)ethynyl]-3-methoxy-phenyl] 4-methylbenzenesulfonate [3-methoxy-4-[2-(4-methoxy-2-oxidanyl-phenyl)ethynyl]phenyl] 4-methylbenzenesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C23H20O6S
InChI InChI=1S/C23H20O6S/c1-16-4-12-21(13-5-16)30(25,26)29-20-11-9-18(23(15-20)28-3)7-6-17-8-10-19(27-2)14-22(17)24/h4-5,8-15,24H,1-3H3
InChIKey XOHPKHFWVMQISJ-UHFFFAOYSA-N
Molecular Weight 424.467 g/mol
SMILES Oc1c(C#Cc2ccc(cc2OC)OS(c2ccc(cc2)C)(=O)=O)ccc(OC)c1
SPLASH splash10-014i-0090400000-5e8adbce7005881287e3
Source of Spectrum KC-0-4344-21
Wiley ID 832132