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2-[(2-chlorophenyl)thio]-2-phenyl-4-pentenoic acid methyl ester
SpectraBase Compound ID H5hEvkhyeDY
InChI InChI=1S/C18H17ClO2S/c1-3-13-18(17(20)21-2,14-9-5-4-6-10-14)22-16-12-8-7-11-15(16)19/h3-12H,1,13H2,2H3
InChIKey PCLCOFZZQFLYEN-UHFFFAOYSA-N
Mol Weight 332.85 g/mol
Molecular Formula C18H17ClO2S
Exact Mass 332.063779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18ODMkuPLRE
Name 2-[(2-chlorophenyl)thio]-2-phenyl-4-pentenoic acid methyl ester
Alternate Name(s) 2-[(2-chlorophenyl)thio]-2-phenyl-pent-4-enoic acid methyl ester Methyl 2-(2-chlorophenyl)sulfanyl-2-phenyl-pent-4-enoate
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Formula C18H17ClO2S
InChI InChI=1S/C18H17ClO2S/c1-3-13-18(17(20)21-2,14-9-5-4-6-10-14)22-16-12-8-7-11-15(16)19/h3-12H,1,13H2,2H3
InChIKey PCLCOFZZQFLYEN-UHFFFAOYSA-N
Molecular Weight 332.845 g/mol
SMILES C(Sc1c(Cl)cccc1)(C(=O)OC)(c1ccccc1)CC=C
SPLASH splash10-00g0-2900000000-21bfcd77cdf0dcbfedb6
Source of Spectrum J-67-5624-3
Wiley ID 1570600