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Methyl 2-(2-chlorophenylthio)-2-(p-methoxyphenyl)pent-4-ynoate
SpectraBase Compound ID KYFPhj1YLQp
InChI InChI=1S/C19H17ClO3S/c1-4-13-19(18(21)23-3,14-9-11-15(22-2)12-10-14)24-17-8-6-5-7-16(17)20/h1,5-12H,13H2,2-3H3
InChIKey HBCNWSPFXKDJNP-UHFFFAOYSA-N
Mol Weight 360.86 g/mol
Molecular Formula C19H17ClO3S
Exact Mass 360.058693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlLP9MSZq14
Name Methyl 2-(2-chlorophenylthio)-2-(p-methoxyphenyl)pent-4-ynoate
Alternate Name(s) Methyl 2-((2-chlorophenyl)thio)-2-(4-methoxyphenyl)pent-4-ynoate
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Formula C19H17ClO3S
InChI InChI=1S/C19H17ClO3S/c1-4-13-19(18(21)23-3,14-9-11-15(22-2)12-10-14)24-17-8-6-5-7-16(17)20/h1,5-12H,13H2,2-3H3
InChIKey HBCNWSPFXKDJNP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20030210732
Molecular Weight 360.855 g/mol
SMILES c1(C(Sc2c(cccc2)Cl)(CC#C)C(=O)OC)ccc(cc1)OC
SPLASH splash10-014r-0950000000-3a117e92ef427471b9ed
Source of Spectrum CJC-21-882-7i
Wiley ID 1773784