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Methyl 2-(p-chlorophenyl)-2-(phenylthio)pent-4-ynoate
SpectraBase Compound ID Ihe3vOKyksH
InChI InChI=1S/C18H15ClO2S/c1-3-13-18(17(20)21-2,14-9-11-15(19)12-10-14)22-16-7-5-4-6-8-16/h1,4-12H,13H2,2H3
InChIKey RRHKEGYVZRBUBO-UHFFFAOYSA-N
Mol Weight 330.83 g/mol
Molecular Formula C18H15ClO2S
Exact Mass 330.048129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RszUvZShk
Name Methyl 2-(p-chlorophenyl)-2-(phenylthio)pent-4-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15ClO2S
InChI InChI=1S/C18H15ClO2S/c1-3-13-18(17(20)21-2,14-9-11-15(19)12-10-14)22-16-7-5-4-6-8-16/h1,4-12H,13H2,2H3
InChIKey RRHKEGYVZRBUBO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20030210732
Molecular Weight 330.829 g/mol
SMILES c1(ccc(cc1)Cl)C(Sc1ccccc1)(CC#C)C(=O)OC
SPLASH splash10-01w0-0941000000-fabee0837faf995667b1
Source of Spectrum CJC-21-882-7f
Synonyms Methyl 2-(4-chlorophenyl)-2-(phenylthio)pent-4-ynoate
Wiley ID 1773781